N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide

C14H19N5OS — CID 129330943

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccn([C@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)8-16-14(20)12-4-6-19(18-12)11-3-2-5-15-7-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyIQDNTVFGOWVMJQ-NSHDSACASA-N
MW305.41 g/mol
LogP1.50
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129330943) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129330943
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccn([C@H]2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)8-16-14(20)12-4-6-19(18-12)11-3-2-5-15-7-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyIQDNTVFGOWVMJQ-NSHDSACASA-N
XLogP1.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide (CID 129330943) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide is Cc1ncsc1CNC(=O)c1ccn([C@H]2CCCNC2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is IQDNTVFGOWVMJQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)8-16-14(20)12-4-6-19(18-12)11-3-2-5-15-7-11/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129330943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).