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

C13H23N3OS — CID 79375150

IUPAC1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(C)(C)CN(C)C
InChIInChI=1S/C13H23N3OS/c1-9-11(10(2)17)12(18-15-9)14-7-13(3,4)8-16(5)6/h14H,7-8H2,1-6H3
InChIKeyPJYKOTAXHMXITC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds6

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

1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375150) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375150
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(C)(C)CN(C)C
InChIInChI=1S/C13H23N3OS/c1-9-11(10(2)17)12(18-15-9)14-7-13(3,4)8-16(5)6/h14H,7-8H2,1-6H3
InChIKeyPJYKOTAXHMXITC-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
1-[5-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 83115553
1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375482
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
CID 79363435
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406465
5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402590
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 79364484
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268031

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375150) is 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC(C)(C)CN(C)C.
What is the InChIKey of 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is PJYKOTAXHMXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9-11(10(2)17)12(18-15-9)14-7-13(3,4)8-16(5)6/h14H,7-8H2,1-6H3.
What are the key properties of 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 269.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).