2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid

C16H16N2O3S — CID 119195383

IUPAC2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1csc(Cc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H16N2O3S/c19-15(20)9-18(12-6-7-12)16(21)13-10-22-14(17-13)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20)
InChIKeyOPVMKYNOPFDLRM-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid

2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 119195383) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
PubChem CID119195383
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1csc(Cc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H16N2O3S/c19-15(20)9-18(12-6-7-12)16(21)13-10-22-14(17-13)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20)
InChIKeyOPVMKYNOPFDLRM-UHFFFAOYSA-N
XLogP2.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
2-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 126789609
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119194986
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96571936
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
methyl 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclobutylamino]benzoate
CID 86792151
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid (CID 119195383) is 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1csc(Cc2ccccc2)n1)C1CC1.
What is the InChIKey of 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is OPVMKYNOPFDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-15(20)9-18(12-6-7-12)16(21)13-10-22-14(17-13)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20).
What are the key properties of 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid?
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).