1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone

C12H18N2OS — CID 64544014

IUPAC1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H18N2OS/c1-9(15)11-8-16-12(13-11)14(2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyAWDSPNVJSUYHSB-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.11
Rot. Bonds3

About 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64544014) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64544014
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H18N2OS/c1-9(15)11-8-16-12(13-11)14(2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyAWDSPNVJSUYHSB-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569084
2-chloro-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392188
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 80568326
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543634
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543825
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 116774203
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 5244733
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
2-[cyclohexyl(methyl)amino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147078
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone (CID 64544014) is 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N(C)C2CCCCC2)n1.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is AWDSPNVJSUYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(15)11-8-16-12(13-11)14(2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).