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

C19H23ClN4OS — CID 90529575

IUPAC1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1)CC2)NC1CCCC1
InChIInChI=1S/C19H23ClN4OS/c20-14-7-5-13(6-8-14)11-24-10-9-16-17(12-24)26-19(22-16)23-18(25)21-15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H2,21,22,23,25)
InChIKeyLLPWQMPLLZHULZ-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.42
Rot. Bonds4

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

1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (PubChem CID 90529575) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
PubChem CID90529575
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1)CC2)NC1CCCC1
InChIInChI=1S/C19H23ClN4OS/c20-14-7-5-13(6-8-14)11-24-10-9-16-17(12-24)26-19(22-16)23-18(25)21-15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H2,21,22,23,25)
InChIKeyLLPWQMPLLZHULZ-UHFFFAOYSA-N
XLogP4.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529572
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-cyclopentyl-3-[5-[(3-nitrophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529590
methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate
CID 90529584
N-(3-chlorophenyl)-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529505
1-cyclopentyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529478
1-cyclopentyl-3-[5-(2,4-dichlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529343
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559
N-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532209
N-[5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531360
1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529336
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (CID 90529575) is 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is O=C(Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1)CC2)NC1CCCC1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
The InChIKey is LLPWQMPLLZHULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c20-14-7-5-13(6-8-14)11-24-10-9-16-17(12-24)26-19(22-16)23-18(25)21-15-3-1-2-4-15/h5-8,15H,1-4,9-12H2,(H2,21,22,23,25).
What are the key properties of 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea has a molecular weight of 390.94 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 90529575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).