2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C8H11ClN2O2S2 — CID 43415421

IUPAC2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C8H11ClN2O2S2/c1-5-7(14-8(9)11-5)15(12,13)10-4-6-2-3-6/h6,10H,2-4H2,1H3
InChIKeyMCKJTQPYNGCONQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.79
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43415421) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43415421
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.77 g/mol
Exact Mass266.00
IUPAC Name2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C8H11ClN2O2S2/c1-5-7(14-8(9)11-5)15(12,13)10-4-6-2-3-6/h6,10H,2-4H2,1H3
InChIKeyMCKJTQPYNGCONQ-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43415421) is 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC1CC1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MCKJTQPYNGCONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c1-5-7(14-8(9)11-5)15(12,13)10-4-6-2-3-6/h6,10H,2-4H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 266.77 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).