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

C12H12ClN3O2S2 — CID 61040681

IUPAC2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C12H12ClN3O2S2/c13-12-15-7-11(19-12)20(17,18)16(10-4-5-10)8-9-3-1-2-6-14-9/h1-3,6-7,10H,4-5,8H2
InChIKeyFHDLYISZUMDVMC-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.54
Rot. Bonds5

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

2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61040681) has the molecular formula C12H12ClN3O2S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61040681
Molecular FormulaC12H12ClN3O2S2
Molecular Weight329.83 g/mol
Exact Mass329.01
IUPAC Name2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C12H12ClN3O2S2/c13-12-15-7-11(19-12)20(17,18)16(10-4-5-10)8-9-3-1-2-6-14-9/h1-3,6-7,10H,4-5,8H2
InChIKeyFHDLYISZUMDVMC-UHFFFAOYSA-N
XLogP2.54
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 61040681) is 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(c1cnc(Cl)s1)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FHDLYISZUMDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S2/c13-12-15-7-11(19-12)20(17,18)16(10-4-5-10)8-9-3-1-2-6-14-9/h1-3,6-7,10H,4-5,8H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 329.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61040681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).