2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H17ClN4O2S2 — CID 61042306

IUPAC2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3
InChIKeyPHZXPBOHHYPYOB-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61042306) has the molecular formula C12H17ClN4O2S2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61042306
Molecular FormulaC12H17ClN4O2S2
Molecular Weight348.88 g/mol
Exact Mass348.05
IUPAC Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3
InChIKeyPHZXPBOHHYPYOB-UHFFFAOYSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61042306) is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PHZXPBOHHYPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3.
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 348.88 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).