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

C11H16N2OS — CID 79363429

IUPAC1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CC1(C)C
InChIInChI=1S/C11H16N2OS/c1-6-9(7(2)14)10(15-13-6)12-8-5-11(8,3)4/h8,12H,5H2,1-4H3
InChIKeyCMXAGRQRSSHBJX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.86
Rot. Bonds3

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

1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79363429) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79363429
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CC1(C)C
InChIInChI=1S/C11H16N2OS/c1-6-9(7(2)14)10(15-13-6)12-8-5-11(8,3)4/h8,12H,5H2,1-4H3
InChIKeyCMXAGRQRSSHBJX-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328
1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79364184
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
CID 79364110
3-methyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]-1,2-thiazole-4-carboxylic acid
CID 103968589
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
CID 79363726
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
1-[5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363953
3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402308
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-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
CID 79375479

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79363429) is 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NC1CC1(C)C.
What is the InChIKey of 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is CMXAGRQRSSHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-6-9(7(2)14)10(15-13-6)12-8-5-11(8,3)4/h8,12H,5H2,1-4H3.
What are the key properties of 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 224.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).