2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide

C21H26ClN3O4S2 — CID 146411339

IUPAC2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide
SMILESCc1nc2sc(C(C)(C)O)cn2c1-c1ccc(Cl)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C21H26ClN3O4S2/c1-12-19(25-11-18(21(2,3)27)30-20(25)23-12)13-4-9-16(22)17(10-13)31(28,29)24-14-5-7-15(26)8-6-14/h4,9-11,14-15,24,26-27H,5-8H2,1-3H3
InChIKeyPINOBQKZMMGQNB-UHFFFAOYSA-N
MW484.04 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide

2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide (PubChem CID 146411339) has the molecular formula C21H26ClN3O4S2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide
PubChem CID146411339
Molecular FormulaC21H26ClN3O4S2
Molecular Weight484.04 g/mol
Exact Mass483.11
IUPAC Name2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide
SMILESCc1nc2sc(C(C)(C)O)cn2c1-c1ccc(Cl)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C21H26ClN3O4S2/c1-12-19(25-11-18(21(2,3)27)30-20(25)23-12)13-4-9-16(22)17(10-13)31(28,29)24-14-5-7-15(26)8-6-14/h4,9-11,14-15,24,26-27H,5-8H2,1-3H3
InChIKeyPINOBQKZMMGQNB-UHFFFAOYSA-N
XLogP3.83
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol
CID 146411352
4-[[5-(2-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methoxyphenyl]sulfonylmethyl]cyclohexan-1-ol
CID 167559465
2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide
CID 146411680
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxy-2-methylpropyl)sulfanyl-3,5-dimethylimidazol-4-yl]benzenesulfonamide
CID 156543470
5-bromo-2-chlorobenzenesulfonyl chloride;5-bromo-2-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 87549933
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
N-(4-hydroxycyclohexyl)-2-methoxy-5-[4-methyl-2-(propan-2-ylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 121452691
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 91809475
N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
CID 161208308
4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493625
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide (CID 146411339) is 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide is Cc1nc2sc(C(C)(C)O)cn2c1-c1ccc(Cl)c(S(=O)(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide?
The InChIKey is PINOBQKZMMGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S2/c1-12-19(25-11-18(21(2,3)27)30-20(25)23-12)13-4-9-16(22)17(10-13)31(28,29)24-14-5-7-15(26)8-6-14/h4,9-11,14-15,24,26-27H,5-8H2,1-3H3.
What are the key properties of 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide?
2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide has a molecular weight of 484.04 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxycyclohexyl)-5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 146411339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).