N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C16H22N6OS — CID 95967654

IUPACN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCc1csc([C@H](NC(=O)N2CCC(n3cncn3)CC2)C2CC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-8-24-15(19-11)14(12-2-3-12)20-16(23)21-6-4-13(5-7-21)22-10-17-9-18-22/h8-10,12-14H,2-7H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyQUWULZQXELWCTB-CQSZACIVSA-N
MW346.46 g/mol
LogP2.54
Rot. Bonds4

About N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 95967654) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID95967654
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCc1csc([C@H](NC(=O)N2CCC(n3cncn3)CC2)C2CC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-8-24-15(19-11)14(12-2-3-12)20-16(23)21-6-4-13(5-7-21)22-10-17-9-18-22/h8-10,12-14H,2-7H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyQUWULZQXELWCTB-CQSZACIVSA-N
XLogP2.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 95967654) is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is Cc1csc([C@H](NC(=O)N2CCC(n3cncn3)CC2)C2CC2)n1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is QUWULZQXELWCTB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-8-24-15(19-11)14(12-2-3-12)20-16(23)21-6-4-13(5-7-21)22-10-17-9-18-22/h8-10,12-14H,2-7H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95967654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).