1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea

C15H23N3OS — CID 100895196

IUPAC1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
SMILESC[C@@H]1CCC[C@@H](NC(=O)N[C@H](c2nccs2)C2CC2)C1
InChIInChI=1S/C15H23N3OS/c1-10-3-2-4-12(9-10)17-15(19)18-13(11-5-6-11)14-16-7-8-20-14/h7-8,10-13H,2-6,9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1
InChIKeyHHVDTKGXFMXOOU-RTXFEEFZSA-N
MW293.44 g/mol
LogP3.47
Rot. Bonds4

About 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea (PubChem CID 100895196) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
PubChem CID100895196
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
SMILESC[C@@H]1CCC[C@@H](NC(=O)N[C@H](c2nccs2)C2CC2)C1
InChIInChI=1S/C15H23N3OS/c1-10-3-2-4-12(9-10)17-15(19)18-13(11-5-6-11)14-16-7-8-20-14/h7-8,10-13H,2-6,9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1
InChIKeyHHVDTKGXFMXOOU-RTXFEEFZSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea (CID 100895196) is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea is C[C@@H]1CCC[C@@H](NC(=O)N[C@H](c2nccs2)C2CC2)C1.
What is the InChIKey of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
The InChIKey is HHVDTKGXFMXOOU-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-3-2-4-12(9-10)17-15(19)18-13(11-5-6-11)14-16-7-8-20-14/h7-8,10-13H,2-6,9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1.
What are the key properties of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea?
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea has a molecular weight of 293.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea is sourced from PubChem (CID 100895196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).