N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide

C17H27N3O2S — CID 48579650

IUPACN-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-14-18-12-13(23-14)15(21)19-17(10-8-7-9-11-17)16(22)20(5-2)6-3/h12H,4-11H2,1-3H3,(H,19,21)
InChIKeyGPOJGQSPWPBGGS-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48579650) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48579650
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-14-18-12-13(23-14)15(21)19-17(10-8-7-9-11-17)16(22)20(5-2)6-3/h12H,4-11H2,1-3H3,(H,19,21)
InChIKeyGPOJGQSPWPBGGS-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48579650) is N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC2(C(=O)N(CC)CC)CCCCC2)s1.
What is the InChIKey of N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPOJGQSPWPBGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-14-18-12-13(23-14)15(21)19-17(10-8-7-9-11-17)16(22)20(5-2)6-3/h12H,4-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48579650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).