5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C15H18ClN5OS — CID 133294854

IUPAC5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ncc(CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)s1
InChIInChI=1S/C15H18ClN5OS/c1-10-18-8-12(23-10)9-20-2-4-21(5-3-20)15-13(16)6-11(7-19-15)14(17)22/h6-8H,2-5,9H2,1H3,(H2,17,22)
InChIKeyOVSUMCKMZQGLTQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP1.92
Rot. Bonds4

About 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133294854) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133294854
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC Name5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ncc(CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)s1
InChIInChI=1S/C15H18ClN5OS/c1-10-18-8-12(23-10)9-20-2-4-21(5-3-20)15-13(16)6-11(7-19-15)14(17)22/h6-8H,2-5,9H2,1H3,(H2,17,22)
InChIKeyOVSUMCKMZQGLTQ-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 133294854) is 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is Cc1ncc(CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)s1.
What is the InChIKey of 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is OVSUMCKMZQGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS/c1-10-18-8-12(23-10)9-20-2-4-21(5-3-20)15-13(16)6-11(7-19-15)14(17)22/h6-8H,2-5,9H2,1H3,(H2,17,22).
What are the key properties of 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133294854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).