ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

C14H20N2O3S — CID 6470295

IUPACethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)11-9(2)16-20-13(11)15-12(17)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,17)
InChIKeyLJZCOQXICZHISE-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.15
Rot. Bonds4

About ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 6470295) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID6470295
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-14(18)11-9(2)16-20-13(11)15-12(17)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,17)
InChIKeyLJZCOQXICZHISE-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 5-acetyl-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate
CID 706257
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364490
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
CID 2820507
ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 2-(cyclopentanecarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4232836

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 6470295) is ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(=O)C1CCCCC1.
What is the InChIKey of ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is LJZCOQXICZHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-14(18)11-9(2)16-20-13(11)15-12(17)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,15,17).
What are the key properties of ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 6470295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).