1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea

C19H23ClN4O3S2 — CID 90529702

IUPAC1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C19H23ClN4O3S2/c1-12-14(20)7-4-8-17(12)29(26,27)24-10-9-15-16(11-24)28-19(22-15)23-18(25)21-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyXQBQSLQZBZZRTP-UHFFFAOYSA-N
MW455.01 g/mol
LogP3.92
Rot. Bonds4

About 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea

1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (PubChem CID 90529702) has the molecular formula C19H23ClN4O3S2 and a molecular weight of 455.01 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
PubChem CID90529702
Molecular FormulaC19H23ClN4O3S2
Molecular Weight455.01 g/mol
Exact Mass454.09
IUPAC Name1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C19H23ClN4O3S2/c1-12-14(20)7-4-8-17(12)29(26,27)24-10-9-15-16(11-24)28-19(22-15)23-18(25)21-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyXQBQSLQZBZZRTP-UHFFFAOYSA-N
XLogP3.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.01
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529704
N-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530679
1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529700
1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529336
1-cyclopentyl-3-[5-(4-pyrrolidin-1-ylsulfonylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529400
1-[5-[2-(2-chlorophenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529429
1-cyclopentyl-3-[5-(2,4-dichlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529343
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
1-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529398
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529591
1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530211

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (CID 90529702) is 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1.
What is the InChIKey of 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The InChIKey is XQBQSLQZBZZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S2/c1-12-14(20)7-4-8-17(12)29(26,27)24-10-9-15-16(11-24)28-19(22-15)23-18(25)21-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea has a molecular weight of 455.01 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 90529702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).