2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C14H13ClN6OS — CID 24822611

IUPAC2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCl)nc(-c3nccs3)n2)n1
InChIInChI=1S/C14H13ClN6OS/c1-8-5-9(2)21(20-8)11-6-10(17-12(22)7-15)18-13(19-11)14-16-3-4-23-14/h3-6H,7H2,1-2H3,(H,17,18,19,22)
InChIKeyJVRACRXDONKGOI-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24822611) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24822611
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC Name2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCl)nc(-c3nccs3)n2)n1
InChIInChI=1S/C14H13ClN6OS/c1-8-5-9(2)21(20-8)11-6-10(17-12(22)7-15)18-13(19-11)14-16-3-4-23-14/h3-6H,7H2,1-2H3,(H,17,18,19,22)
InChIKeyJVRACRXDONKGOI-UHFFFAOYSA-N
XLogP2.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 24822611) is 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is Cc1cc(C)n(-c2cc(NC(=O)CCl)nc(-c3nccs3)n2)n1.
What is the InChIKey of 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is JVRACRXDONKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c1-8-5-9(2)21(20-8)11-6-10(17-12(22)7-15)18-13(19-11)14-16-3-4-23-14/h3-6H,7H2,1-2H3,(H,17,18,19,22).
What are the key properties of 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 348.82 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24822611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).