N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

C19H18N4OS — CID 18847721

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCc1nc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)sc1C
InChIInChI=1S/C19H18N4OS/c1-9-10(2)25-19(20-9)23-18(24)13-5-6-14-15(8-13)22-17-12-4-3-11(7-12)16(17)21-14/h5-6,8,11-12H,3-4,7H2,1-2H3,(H,20,23,24)
InChIKeyTYYOSEGECMWTMI-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.32
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847721) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847721
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCc1nc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)sc1C
InChIInChI=1S/C19H18N4OS/c1-9-10(2)25-19(20-9)23-18(24)13-5-6-14-15(8-13)22-17-12-4-3-11(7-12)16(17)21-14/h5-6,8,11-12H,3-4,7H2,1-2H3,(H,20,23,24)
InChIKeyTYYOSEGECMWTMI-UHFFFAOYSA-N
XLogP4.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847635
(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide
CID 99984982
N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847714
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662
4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18128666
N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847694
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847653
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847603
3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906990

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847721) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is Cc1nc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is TYYOSEGECMWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-9-10(2)25-19(20-9)23-18(24)13-5-6-14-15(8-13)22-17-12-4-3-11(7-12)16(17)21-14/h5-6,8,11-12H,3-4,7H2,1-2H3,(H,20,23,24).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is sourced from PubChem (CID 18847721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).