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

C14H17N3OS — CID 106760958

IUPAC1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccccc1N(C)C
InChIInChI=1S/C14H17N3OS/c1-9-13(10(2)18)14(19-16-9)15-11-7-5-6-8-12(11)17(3)4/h5-8,15H,1-4H3
InChIKeyBSDVHACIJSEFSI-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.46
Rot. Bonds4

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

1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 106760958) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID106760958
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccccc1N(C)C
InChIInChI=1S/C14H17N3OS/c1-9-13(10(2)18)14(19-16-9)15-11-7-5-6-8-12(11)17(3)4/h5-8,15H,1-4H3
InChIKeyBSDVHACIJSEFSI-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376164
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
1-[5-(4-iodoanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375577
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
CID 79375148
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
CID 79371636
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375150
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759555

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 106760958) is 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1ccccc1N(C)C.
What is the InChIKey of 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is BSDVHACIJSEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-13(10(2)18)14(19-16-9)15-11-7-5-6-8-12(11)17(3)4/h5-8,15H,1-4H3.
What are the key properties of 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 106760958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).