2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide

C12H15ClN4O2S2 — CID 61051472

IUPAC2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H15ClN4O2S2/c1-7-11(20-12(13)15-7)21(18,19)16-9-4-3-5-10-8(9)6-14-17(10)2/h6,9,16H,3-5H2,1-2H3
InChIKeyCHOSZLOLDGVHPK-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.19
Rot. Bonds3

About 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61051472) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61051472
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC Name2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H15ClN4O2S2/c1-7-11(20-12(13)15-7)21(18,19)16-9-4-3-5-10-8(9)6-14-17(10)2/h6,9,16H,3-5H2,1-2H3
InChIKeyCHOSZLOLDGVHPK-UHFFFAOYSA-N
XLogP2.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 61051472) is 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CHOSZLOLDGVHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c1-7-11(20-12(13)15-7)21(18,19)16-9-4-3-5-10-8(9)6-14-17(10)2/h6,9,16H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 346.87 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).