2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol

C18H21N5OS — CID 21220679

IUPAC2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol
SMILESCN(C)CCn1nc2c3c(c(NCCO)ccc31)Sc1cccnc1-2
InChIInChI=1S/C18H21N5OS/c1-22(2)9-10-23-13-6-5-12(19-8-11-24)18-15(13)17(21-23)16-14(25-18)4-3-7-20-16/h3-7,19,24H,8-11H2,1-2H3
InChIKeyHZVWSLZLXCMXOY-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.53
Rot. Bonds6

About 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol

2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol (PubChem CID 21220679) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol
PubChem CID21220679
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol
SMILESCN(C)CCn1nc2c3c(c(NCCO)ccc31)Sc1cccnc1-2
InChIInChI=1S/C18H21N5OS/c1-22(2)9-10-23-13-6-5-12(19-8-11-24)18-15(13)17(21-23)16-14(25-18)4-3-7-20-16/h3-7,19,24H,8-11H2,1-2H3
InChIKeyHZVWSLZLXCMXOY-UHFFFAOYSA-N
XLogP2.53
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol with MolForge

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Related Compounds

2-[2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethylamino]ethanol
CID 54247825
14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-amine
CID 21220776
1-[2-[[14-[2-(2-hydroxyethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethylamino]ethanol
CID 21220751
tert-butyl N-[2-[[14-[2-(dimethylamino)ethyl]-8-thia-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethyl]carbamate
CID 11026823
14-(2-aminoethyl)-10-[2-(dimethylamino)ethylamino]-3,6,14,15-tetrazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CID 23355600
N'-[14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl]propane-1,3-diamine;hydrochloride
CID 139644093
2-[2-[10-[2-(methylamino)ethylamino]-8-thia-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethylamino]ethanol
CID 21220693
10-(2-aminoethylamino)-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-ol;trihydrochloride
CID 139725681
N'-[14-[2-(methylamino)ethyl]-8-thia-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]ethane-1,2-diamine
CID 21220772
2-[2-[[14-[2-(diethylamino)ethyl]-5-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethyl]isoindole-1,3-dione
CID 14406774
14-(2-aminoethyl)-10-[2-(dimethylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
CID 10641601
N-[14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl]-2-(tritylamino)acetamide
CID 14872078

Frequently Asked Questions

What is the IUPAC name of 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol?
The IUPAC name of 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol (CID 21220679) is 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol.
What is the SMILES notation for 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol?
The canonical SMILES for 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol is CN(C)CCn1nc2c3c(c(NCCO)ccc31)Sc1cccnc1-2.
What is the InChIKey of 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol?
The InChIKey is HZVWSLZLXCMXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22(2)9-10-23-13-6-5-12(19-8-11-24)18-15(13)17(21-23)16-14(25-18)4-3-7-20-16/h3-7,19,24H,8-11H2,1-2H3.
What are the key properties of 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol?
2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol has a molecular weight of 355.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[14-[2-(dimethylamino)ethyl]-8-thia-3,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]amino]ethanol is sourced from PubChem (CID 21220679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).