methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate

C19H29N3O3S — CID 1196408

IUPACmethyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CN(C(=O)NC2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C19H29N3O3S/c1-25-18(23)16-13-26-17(21-16)12-22(15-10-6-3-7-11-15)19(24)20-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,20,24)
InChIKeySJRVQESBXDEOAZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.11
Rot. Bonds5

About methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 1196408) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID1196408
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Namemethyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CN(C(=O)NC2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C19H29N3O3S/c1-25-18(23)16-13-26-17(21-16)12-22(15-10-6-3-7-11-15)19(24)20-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,20,24)
InChIKeySJRVQESBXDEOAZ-UHFFFAOYSA-N
XLogP4.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[tert-butyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766899
methyl 2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810957
methyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196407
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
methyl 2-[[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766896
methyl 2-[[3-cyclopentylpropanoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766827
methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7262156
methyl 2-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810952
methyl 2-[[cyclohexanecarbonyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766774
methyl 2-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196523
methyl 2-[[cyclopropyl(naphthalen-1-ylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196511
methyl 2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196527

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 1196408) is methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(CN(C(=O)NC2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SJRVQESBXDEOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-18(23)16-13-26-17(21-16)12-22(15-10-6-3-7-11-15)19(24)20-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,20,24).
What are the key properties of methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 379.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).