1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C21H22N6O2S — CID 90529442

IUPAC1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cnc3ccccc3n1)CC2)NC1CCCC1
InChIInChI=1S/C21H22N6O2S/c28-19(17-11-22-14-7-3-4-8-15(14)24-17)27-10-9-16-18(12-27)30-21(25-16)26-20(29)23-13-5-1-2-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2,(H2,23,25,26,29)
InChIKeyCWQYCEZVUOBCEX-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.35
Rot. Bonds3

About 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529442) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID90529442
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC Name1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cnc3ccccc3n1)CC2)NC1CCCC1
InChIInChI=1S/C21H22N6O2S/c28-19(17-11-22-14-7-3-4-8-15(14)24-17)27-10-9-16-18(12-27)30-21(25-16)26-20(29)23-13-5-1-2-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2,(H2,23,25,26,29)
InChIKeyCWQYCEZVUOBCEX-UHFFFAOYSA-N
XLogP3.35
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529336
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
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-[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-cyclopentyl-3-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529398
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-(4-pyrrolidin-1-ylsulfonylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529400
2-(cyclopentylcarbamoylamino)-N-(2-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529621
1-cyclopentyl-3-[5-(3,4-diethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529331
1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529442) is 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is O=C(Nc1nc2c(s1)CN(C(=O)c1cnc3ccccc3n1)CC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is CWQYCEZVUOBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c28-19(17-11-22-14-7-3-4-8-15(14)24-17)27-10-9-16-18(12-27)30-21(25-16)26-20(29)23-13-5-1-2-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2,(H2,23,25,26,29).
What are the key properties of 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 422.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(quinoxaline-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).