1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea

C20H25N5O2S — CID 141119435

IUPAC1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(c1cccnc1)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)C1
InChIInChI=1S/C20H25N5O2S/c26-18(15-5-4-9-21-13-15)24-11-8-17(14-24)25(16-6-2-1-3-7-16)20(27)23-19-22-10-12-28-19/h4-5,9-10,12-13,16-17H,1-3,6-8,11,14H2,(H,22,23,27)
InChIKeyLKIOWJFUSRGISK-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea

1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 141119435) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea
PubChem CID141119435
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(c1cccnc1)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)C1
InChIInChI=1S/C20H25N5O2S/c26-18(15-5-4-9-21-13-15)24-11-8-17(14-24)25(16-6-2-1-3-7-16)20(27)23-19-22-10-12-28-19/h4-5,9-10,12-13,16-17H,1-3,6-8,11,14H2,(H,22,23,27)
InChIKeyLKIOWJFUSRGISK-UHFFFAOYSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane
CID 91342895
2-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 110253812
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
CID 70313001
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea (CID 141119435) is 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea is O=C(c1cccnc1)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LKIOWJFUSRGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c26-18(15-5-4-9-21-13-15)24-11-8-17(14-24)25(16-6-2-1-3-7-16)20(27)23-19-22-10-12-28-19/h4-5,9-10,12-13,16-17H,1-3,6-8,11,14H2,(H,22,23,27).
What are the key properties of 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea?
1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 399.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 141119435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).