ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C15H23N3O3S — CID 16883951

IUPACethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C15H23N3O3S/c1-2-21-15(20)18-14-17-12(10-22-14)8-13(19)16-9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyJNCLSVPGEHGLJJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.95
Rot. Bonds6

About ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883951) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883951
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C15H23N3O3S/c1-2-21-15(20)18-14-17-12(10-22-14)8-13(19)16-9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyJNCLSVPGEHGLJJ-UHFFFAOYSA-N
XLogP2.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883951) is ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1.
What is the InChIKey of ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is JNCLSVPGEHGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-21-15(20)18-14-17-12(10-22-14)8-13(19)16-9-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 325.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).