N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C16H16ClN5OS — CID 55687015

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)s1
InChIInChI=1S/C16H16ClN5OS/c1-3-4-14-20-10(2)15(24-14)16(23)21-12-7-11(17)5-6-13(12)22-9-18-8-19-22/h5-9H,3-4H2,1-2H3,(H,21,23)
InChIKeyFGFFAIXSJCCPFJ-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.89
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 55687015) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID55687015
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)s1
InChIInChI=1S/C16H16ClN5OS/c1-3-4-14-20-10(2)15(24-14)16(23)21-12-7-11(17)5-6-13(12)22-9-18-8-19-22/h5-9H,3-4H2,1-2H3,(H,21,23)
InChIKeyFGFFAIXSJCCPFJ-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 55687015) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)s1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is FGFFAIXSJCCPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-3-4-14-20-10(2)15(24-14)16(23)21-12-7-11(17)5-6-13(12)22-9-18-8-19-22/h5-9H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55687015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).