1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C14H22N2OS — CID 62750312

IUPAC1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC2CCCCC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyDRTKROMDKWQKLM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62750312) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62750312
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC2CCCCC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyDRTKROMDKWQKLM-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62750312) is 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)CC2CCCCC2)nc1C.
What is the InChIKey of 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is DRTKROMDKWQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-13(11(2)17)18-14(15-10)16(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3.
What are the key properties of 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).