2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid

C12H18N2O3S — CID 119204826

IUPAC2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCCCc1ncc(C(=O)N(CCC)CC(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-3-5-10-13-7-9(18-10)12(17)14(6-4-2)8-11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyWMSCNRTVOXAOFS-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.03
Rot. Bonds7

About 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid

2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid (PubChem CID 119204826) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
PubChem CID119204826
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESCCCc1ncc(C(=O)N(CCC)CC(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-3-5-10-13-7-9(18-10)12(17)14(6-4-2)8-11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyWMSCNRTVOXAOFS-UHFFFAOYSA-N
XLogP2.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 120519603
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
N-methyl-N-(1-methylpyrazol-4-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 139004286
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 126795251
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid (CID 119204826) is 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid is CCCc1ncc(C(=O)N(CCC)CC(=O)O)s1.
What is the InChIKey of 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The InChIKey is WMSCNRTVOXAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-5-10-13-7-9(18-10)12(17)14(6-4-2)8-11(15)16/h7H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid?
2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).