2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide

C12H14ClN3O2S2 — CID 61044874

IUPAC2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(Cc1ccccn1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-9(2)16(8-10-5-3-4-6-14-10)20(17,18)11-7-15-12(13)19-11/h3-7,9H,8H2,1-2H3
InChIKeyVDMHTRGLLZFRDZ-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61044874) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61044874
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(Cc1ccccn1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-9(2)16(8-10-5-3-4-6-14-10)20(17,18)11-7-15-12(13)19-11/h3-7,9H,8H2,1-2H3
InChIKeyVDMHTRGLLZFRDZ-UHFFFAOYSA-N
XLogP2.79
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61040681
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268230
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 103299752
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60959944
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 122155298
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 61044874) is 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide is CC(C)N(Cc1ccccn1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VDMHTRGLLZFRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-9(2)16(8-10-5-3-4-6-14-10)20(17,18)11-7-15-12(13)19-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61044874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).