N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

C16H17ClN6OS — CID 70833134

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1nc(C)n(CC(C)C(=O)Nc2sc(-c3cccnc3)nc2Cl)n1
InChIInChI=1S/C16H17ClN6OS/c1-9(8-23-11(3)19-10(2)22-23)14(24)21-16-13(17)20-15(25-16)12-5-4-6-18-7-12/h4-7,9H,8H2,1-3H3,(H,21,24)
InChIKeyHASVFIMRLJRMGN-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.34
Rot. Bonds5

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (PubChem CID 70833134) has the molecular formula C16H17ClN6OS and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
PubChem CID70833134
Molecular FormulaC16H17ClN6OS
Molecular Weight376.87 g/mol
Exact Mass376.09
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1nc(C)n(CC(C)C(=O)Nc2sc(-c3cccnc3)nc2Cl)n1
InChIInChI=1S/C16H17ClN6OS/c1-9(8-23-11(3)19-10(2)22-23)14(24)21-16-13(17)20-15(25-16)12-5-4-6-18-7-12/h4-7,9H,8H2,1-3H3,(H,21,24)
InChIKeyHASVFIMRLJRMGN-UHFFFAOYSA-N
XLogP3.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (CID 70833134) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is Cc1nc(C)n(CC(C)C(=O)Nc2sc(-c3cccnc3)nc2Cl)n1.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The InChIKey is HASVFIMRLJRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6OS/c1-9(8-23-11(3)19-10(2)22-23)14(24)21-16-13(17)20-15(25-16)12-5-4-6-18-7-12/h4-7,9H,8H2,1-3H3,(H,21,24).
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide has a molecular weight of 376.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 70833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).