N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C16H25N3O2S — CID 18568228

IUPACN-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)14(21)19-15-18-12(10-22-15)9-13(20)17-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZRJMPFKYQKUWFA-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.12
Rot. Bonds4

About N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 18568228) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID18568228
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)14(21)19-15-18-12(10-22-15)9-13(20)17-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZRJMPFKYQKUWFA-UHFFFAOYSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 18568228) is N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1.
What is the InChIKey of N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZRJMPFKYQKUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-16(2,3)14(21)19-15-18-12(10-22-15)9-13(20)17-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18568228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).