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

C13H20N2OS — CID 79375415

IUPAC1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-9-12(10(2)16)13(17-15-9)14-8-11-6-4-3-5-7-11/h11,14H,3-8H2,1-2H3
InChIKeyGAAMFUGPAIVZIC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.65
Rot. Bonds4

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

1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375415) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375415
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-9-12(10(2)16)13(17-15-9)14-8-11-6-4-3-5-7-11/h11,14H,3-8H2,1-2H3
InChIKeyGAAMFUGPAIVZIC-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
1-[5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363953
3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 107415757
5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114137408
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406465
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
1-[5-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 83115553
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375415) is 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC1CCCCC1.
What is the InChIKey of 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is GAAMFUGPAIVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-12(10(2)16)13(17-15-9)14-8-11-6-4-3-5-7-11/h11,14H,3-8H2,1-2H3.
What are the key properties of 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).