1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea

C12H15N5OS — CID 154854688

IUPAC1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
SMILESO=C(Nc1ccns1)N[C@@H]1CCC[C@@H]1n1cccn1
InChIInChI=1S/C12H15N5OS/c18-12(16-11-5-7-14-19-11)15-9-3-1-4-10(9)17-8-2-6-13-17/h2,5-10H,1,3-4H2,(H2,15,16,18)/t9-,10+/m1/s1
InChIKeyFMCOVBKHDBJJDJ-ZJUUUORDSA-N
MW277.35 g/mol
LogP2.25
Rot. Bonds3

About 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea

1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea (PubChem CID 154854688) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
PubChem CID154854688
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
SMILESO=C(Nc1ccns1)N[C@@H]1CCC[C@@H]1n1cccn1
InChIInChI=1S/C12H15N5OS/c18-12(16-11-5-7-14-19-11)15-9-3-1-4-10(9)17-8-2-6-13-17/h2,5-10H,1,3-4H2,(H2,15,16,18)/t9-,10+/m1/s1
InChIKeyFMCOVBKHDBJJDJ-ZJUUUORDSA-N
XLogP2.25
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 124730444
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
(3R)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124776517
(2R)-2-(1H-imidazol-2-yl)-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]piperidine-1-carboxamide
CID 97085034
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
CID 124850298
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
CID 86789203
1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 129421233
trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
CID 126854443

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea?
The IUPAC name of 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea (CID 154854688) is 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea is O=C(Nc1ccns1)N[C@@H]1CCC[C@@H]1n1cccn1.
What is the InChIKey of 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea?
The InChIKey is FMCOVBKHDBJJDJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H15N5OS/c18-12(16-11-5-7-14-19-11)15-9-3-1-4-10(9)17-8-2-6-13-17/h2,5-10H,1,3-4H2,(H2,15,16,18)/t9-,10+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea?
1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea has a molecular weight of 277.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea is sourced from PubChem (CID 154854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).