1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea

C23H27N5O2S — CID 10296837

IUPAC1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea
SMILESO=C(Nc1ccc2nccc(NC3CCCCC3O)c2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C23H27N5O2S/c29-20-7-2-1-6-19(20)27-18-10-11-24-17-9-8-15(12-16(17)18)26-22(30)28-23-25-13-21(31-23)14-4-3-5-14/h8-14,19-20,29H,1-7H2,(H,24,27)(H2,25,26,28,30)
InChIKeyHIPRQWLZOCSGTI-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.32
Rot. Bonds5

About 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea

1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea (PubChem CID 10296837) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea.

Molecular Properties

Compound Name1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea
PubChem CID10296837
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea
SMILESO=C(Nc1ccc2nccc(NC3CCCCC3O)c2c1)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C23H27N5O2S/c29-20-7-2-1-6-19(20)27-18-10-11-24-17-9-8-15(12-16(17)18)26-22(30)28-23-25-13-21(31-23)14-4-3-5-14/h8-14,19-20,29H,1-7H2,(H,24,27)(H2,25,26,28,30)
InChIKeyHIPRQWLZOCSGTI-UHFFFAOYSA-N
XLogP5.32
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea with MolForge

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Related Compounds

1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea
CID 22731379
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495334
3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate
CID 10200834
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
trans-(1S,2S)-2-[(6,7-diethoxyquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495450
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 138530017
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
CID 87519208
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea?
The IUPAC name of 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea (CID 10296837) is 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea.
What is the SMILES notation for 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea?
The canonical SMILES for 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea is O=C(Nc1ccc2nccc(NC3CCCCC3O)c2c1)Nc1ncc(C2CCC2)s1.
What is the InChIKey of 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea?
The InChIKey is HIPRQWLZOCSGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-20-7-2-1-6-19(20)27-18-10-11-24-17-9-8-15(12-16(17)18)26-22(30)28-23-25-13-21(31-23)14-4-3-5-14/h8-14,19-20,29H,1-7H2,(H,24,27)(H2,25,26,28,30).
What are the key properties of 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea?
1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea has a molecular weight of 437.57 g/mol, XLogP of 5.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea is sourced from PubChem (CID 10296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).