ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate

C15H22N2O3S — CID 116698092

IUPACethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC2CCC(C)C(C)C2)cs1
InChIInChI=1S/C15H22N2O3S/c1-4-20-15(19)14-17-12(8-21-14)13(18)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyZXGMYEWPWDLDPD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.87
Rot. Bonds4

About ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116698092) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116698092
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC2CCC(C)C(C)C2)cs1
InChIInChI=1S/C15H22N2O3S/c1-4-20-15(19)14-17-12(8-21-14)13(18)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyZXGMYEWPWDLDPD-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698196
ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697644
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663
ethyl 4-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 116697657
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 116698092) is ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NC2CCC(C)C(C)C2)cs1.
What is the InChIKey of ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is ZXGMYEWPWDLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-20-15(19)14-17-12(8-21-14)13(18)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).