N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride

C14H21ClN6OS — CID 120644530

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CCc1cscn1
InChIInChI=1S/C14H20N6OS.ClH/c1-20-14(17-12(21)3-2-11-8-22-9-16-11)18-13(19-20)10-4-6-15-7-5-10;/h8-10,15H,2-7H2,1H3,(H,17,18,19,21);1H
InChIKeyMOCNEIPUILLBSZ-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.73
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride (PubChem CID 120644530) has the molecular formula C14H21ClN6OS and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
PubChem CID120644530
Molecular FormulaC14H21ClN6OS
Molecular Weight356.88 g/mol
Exact Mass356.12
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CCc1cscn1
InChIInChI=1S/C14H20N6OS.ClH/c1-20-14(17-12(21)3-2-11-8-22-9-16-11)18-13(19-20)10-4-6-15-7-5-10;/h8-10,15H,2-7H2,1H3,(H,17,18,19,21);1H
InChIKeyMOCNEIPUILLBSZ-UHFFFAOYSA-N
XLogP1.73
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride (CID 120644530) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)CCc1cscn1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
The InChIKey is MOCNEIPUILLBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS.ClH/c1-20-14(17-12(21)3-2-11-8-22-9-16-11)18-13(19-20)10-4-6-15-7-5-10;/h8-10,15H,2-7H2,1H3,(H,17,18,19,21);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).