N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide

C18H15N5OS2 — CID 46320810

IUPACN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide
SMILESCc1nc2ncnn2c(Sc2ccccc2NC(=O)c2cccs2)c1C
InChIInChI=1S/C18H15N5OS2/c1-11-12(2)21-18-19-10-20-23(18)17(11)26-14-7-4-3-6-13(14)22-16(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,22,24)
InChIKeyGHBCVEBSJYQPDY-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.21
Rot. Bonds4

About N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide

N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide (PubChem CID 46320810) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide
PubChem CID46320810
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC NameN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide
SMILESCc1nc2ncnn2c(Sc2ccccc2NC(=O)c2cccs2)c1C
InChIInChI=1S/C18H15N5OS2/c1-11-12(2)21-18-19-10-20-23(18)17(11)26-14-7-4-3-6-13(14)22-16(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,22,24)
InChIKeyGHBCVEBSJYQPDY-UHFFFAOYSA-N
XLogP4.21
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320826
N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide
CID 46320815
2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320887
4-methyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320785
N-[2-[(5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-methylbenzamide
CID 50778543
ethyl 3-cyano-6-methyl-2-[2-(thiophene-2-carbonylamino)phenyl]sulfanylpyridine-4-carboxylate
CID 2746311
N-[2-[(5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 50778493
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
(3R)-3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-thiophen-2-ylpropan-1-ol
CID 95981455
N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55514368
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18110968
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide (CID 46320810) is N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide is Cc1nc2ncnn2c(Sc2ccccc2NC(=O)c2cccs2)c1C.
What is the InChIKey of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GHBCVEBSJYQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-11-12(2)21-18-19-10-20-23(18)17(11)26-14-7-4-3-6-13(14)22-16(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide?
N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46320810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).