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

C11H17ClN2O2S2 — CID 54979773

IUPAC2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-7(2)6-14(9-4-5-9)18(15,16)10-8(3)13-11(12)17-10/h7,9H,4-6H2,1-3H3
InChIKeyHYXIDLZUZHREJM-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.91
Rot. Bonds5

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

2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 54979773) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID54979773
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C11H17ClN2O2S2/c1-7(2)6-14(9-4-5-9)18(15,16)10-8(3)13-11(12)17-10/h7,9H,4-6H2,1-3H3
InChIKeyHYXIDLZUZHREJM-UHFFFAOYSA-N
XLogP2.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-fluorocyclopropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 60127658
2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010751
2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010802
2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61042566
2-chloro-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045044
2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045590
N-butyl-2-chloro-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046129
2-chloro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046497
2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046694
2-chloro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 65537188
2-Chloro-N-cyclopropyl-4-methyl-5-thiazolesulfonamide
CID 12094252
2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide
CID 43456053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (CID 54979773) is 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CC(C)C)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is HYXIDLZUZHREJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-7(2)6-14(9-4-5-9)18(15,16)10-8(3)13-11(12)17-10/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54979773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).