2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid

C15H18N2O2S — CID 62765123

IUPAC2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)c2cccc(C)c2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,18,19)
InChIKeyDUVXJOAFDKVBFW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.87
Rot. Bonds5

About 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765123) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765123
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)c2cccc(C)c2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,18,19)
InChIKeyDUVXJOAFDKVBFW-UHFFFAOYSA-N
XLogP3.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
2-[(3-fluorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764589
2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 55112410
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396688
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764608
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
2-methyl-4-[2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 22003636
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62765123) is 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(C)c2cccc(C)c2)sc1C(=O)O.
What is the InChIKey of 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DUVXJOAFDKVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h5,7-9H,4,6H2,1-3H3,(H,18,19).
What are the key properties of 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).