N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C19H23N5O2S — CID 39332176

IUPACN-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCCOCCCNc1nc2sc(C)c(CC)c2c2nc(-c3ccco3)nn12
InChIInChI=1S/C19H23N5O2S/c1-4-13-12(3)27-18-15(13)17-21-16(14-8-6-11-26-14)23-24(17)19(22-18)20-9-7-10-25-5-2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,20,22)
InChIKeyZFCBPBHDNSDYCB-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.31
Rot. Bonds8

About N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 39332176) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID39332176
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCCOCCCNc1nc2sc(C)c(CC)c2c2nc(-c3ccco3)nn12
InChIInChI=1S/C19H23N5O2S/c1-4-13-12(3)27-18-15(13)17-21-16(14-8-6-11-26-14)23-24(17)19(22-18)20-9-7-10-25-5-2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,20,22)
InChIKeyZFCBPBHDNSDYCB-UHFFFAOYSA-N
XLogP4.31
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-ethyl-4-(furan-2-yl)-N-(furan-2-ylmethyl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 39308130
ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 118707862
(14R)-4-(furan-2-yl)-7,14-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 2034818
N-(3-ethoxypropyl)-14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
CID 3699029
4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine
CID 62567183
ethyl 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 22002364
5-N-[2-[4-(2-ethoxyethylamino)phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381515
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 118707891
2-(1,3-benzodioxol-5-yl)-N-[12-(ethylamino)-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]acetamide
CID 11091783
N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-8-[5-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 139995020
2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62699465
2-[4,6-diethyl-2-(furan-2-yl)pyrimidin-5-yl]-N-methylethanamine
CID 79219302

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 39332176) is N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is CCOCCCNc1nc2sc(C)c(CC)c2c2nc(-c3ccco3)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is ZFCBPBHDNSDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-4-13-12(3)27-18-15(13)17-21-16(14-8-6-11-26-14)23-24(17)19(22-18)20-9-7-10-25-5-2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 385.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-12-ethyl-4-(furan-2-yl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 39332176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).