1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C15H25N3OS — CID 95760979

IUPAC1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc([C@H](C)NC(=O)N(C)C2CCC(C)CC2)cs1
InChIInChI=1S/C15H25N3OS/c1-10-5-7-13(8-6-10)18(4)15(19)16-11(2)14-9-20-12(3)17-14/h9-11,13H,5-8H2,1-4H3,(H,16,19)/t10?,11-,13?/m0/s1
InChIKeyOCGWOWUYCXABNF-AKJDGMEZSA-N
MW295.45 g/mol
LogP3.73
Rot. Bonds3

About 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 95760979) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID95760979
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc([C@H](C)NC(=O)N(C)C2CCC(C)CC2)cs1
InChIInChI=1S/C15H25N3OS/c1-10-5-7-13(8-6-10)18(4)15(19)16-11(2)14-9-20-12(3)17-14/h9-11,13H,5-8H2,1-4H3,(H,16,19)/t10?,11-,13?/m0/s1
InChIKeyOCGWOWUYCXABNF-AKJDGMEZSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
CID 86999651
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CID 108737160
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 158687598
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95760970
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
CID 43670089
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 51885246
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 95760979) is 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc([C@H](C)NC(=O)N(C)C2CCC(C)CC2)cs1.
What is the InChIKey of 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is OCGWOWUYCXABNF-AKJDGMEZSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10-5-7-13(8-6-10)18(4)15(19)16-11(2)14-9-20-12(3)17-14/h9-11,13H,5-8H2,1-4H3,(H,16,19)/t10?,11-,13?/m0/s1.
What are the key properties of 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 295.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 95760979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).