11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C14H13N5O2S — CID 53210211

IUPAC11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1csc(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)n1
InChIInChI=1S/C14H13N5O2S/c1-7-5-22-14(17-7)18-12(20)9-8(2)21-13-10(9)11-15-3-4-19(11)6-16-13/h5-6H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyFJBRTNIWVOPZHP-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.34
Rot. Bonds2

About 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 53210211) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound Name11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID53210211
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCc1csc(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)n1
InChIInChI=1S/C14H13N5O2S/c1-7-5-22-14(17-7)18-12(20)9-8(2)21-13-10(9)11-15-3-4-19(11)6-16-13/h5-6H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyFJBRTNIWVOPZHP-UHFFFAOYSA-N
XLogP2.34
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide with MolForge

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Related Compounds

N-ethyl-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 71034442
N-(2,5-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210244
N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 143746614
N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 19439782
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 164647541
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
3-methyl-5-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 35934960
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 53210211) is 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is Cc1csc(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)n1.
What is the InChIKey of 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is FJBRTNIWVOPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-7-5-22-14(17-7)18-12(20)9-8(2)21-13-10(9)11-15-3-4-19(11)6-16-13/h5-6H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(4-methyl-1,3-thiazol-2-yl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 53210211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).