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

C17H25N5OS — CID 129421233

IUPAC1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
SMILESCc1cnc([C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)s1
InChIInChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23)/t12-,14+,15-/m1/s1
InChIKeyABWOFELGQCUJQO-VHDGCEQUSA-N
MW347.49 g/mol
LogP3.23
Rot. Bonds5

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

1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea (PubChem CID 129421233) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
PubChem CID129421233
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea
SMILESCc1cnc([C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)s1
InChIInChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23)/t12-,14+,15-/m1/s1
InChIKeyABWOFELGQCUJQO-VHDGCEQUSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
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(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
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1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840983
1-(3-methyl-1,2-oxazol-5-yl)-3-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]urea
CID 154845601
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
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
1-[(1R,2S)-2-pyrazol-1-ylcyclopentyl]-3-(1,2-thiazol-5-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The IUPAC name of 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea (CID 129421233) is 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea.
What is the SMILES notation for 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The canonical SMILES for 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea is Cc1cnc([C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)s1.
What is the InChIKey of 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea?
The InChIKey is ABWOFELGQCUJQO-VHDGCEQUSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23)/t12-,14+,15-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea?
1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea has a molecular weight of 347.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]urea is sourced from PubChem (CID 129421233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).