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

C19H21ClN4O2S — CID 90529336

IUPAC1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1Cl)CC2)NC1CCCC1
InChIInChI=1S/C19H21ClN4O2S/c20-14-8-4-3-7-13(14)17(25)24-10-9-15-16(11-24)27-19(22-15)23-18(26)21-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H2,21,22,23,26)
InChIKeyLNYTYNGCBVHPAI-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.06
Rot. Bonds3

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

1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (PubChem CID 90529336) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
PubChem CID90529336
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1Cl)CC2)NC1CCCC1
InChIInChI=1S/C19H21ClN4O2S/c20-14-8-4-3-7-13(14)17(25)24-10-9-15-16(11-24)27-19(22-15)23-18(26)21-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H2,21,22,23,26)
InChIKeyLNYTYNGCBVHPAI-UHFFFAOYSA-N
XLogP4.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529442
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-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
1-[5-(4-chloro-3-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529355
1-cyclopentyl-3-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529329
1-cyclopentyl-3-[5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 71788152
1-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclohexylthiourea
CID 108780201
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-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529702
2-(cyclopentylcarbamoylamino)-N-(2-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529621

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (CID 90529336) is 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is O=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1Cl)CC2)NC1CCCC1.
What is the InChIKey of 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The InChIKey is LNYTYNGCBVHPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c20-14-8-4-3-7-13(14)17(25)24-10-9-15-16(11-24)27-19(22-15)23-18(26)21-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H2,21,22,23,26).
What are the key properties of 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea has a molecular weight of 404.92 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 90529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).