N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide

C9H7ClN4OS — CID 104820026

IUPACN-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cncc(Cl)n2)cs1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-6(4-16-5)9(15)14-8-3-11-2-7(10)13-8/h2-4H,1H3,(H,13,14,15)
InChIKeyISCAHESJNOKLON-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.15
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide

N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 104820026) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID104820026
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC NameN-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cncc(Cl)n2)cs1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-6(4-16-5)9(15)14-8-3-11-2-7(10)13-8/h2-4H,1H3,(H,13,14,15)
InChIKeyISCAHESJNOKLON-UHFFFAOYSA-N
XLogP2.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 104820026) is N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cncc(Cl)n2)cs1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ISCAHESJNOKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c1-5-12-6(4-16-5)9(15)14-8-3-11-2-7(10)13-8/h2-4H,1H3,(H,13,14,15).
What are the key properties of N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 254.70 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).