2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

C14H15ClN2O3S2 — CID 119205644

IUPAC2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(-c2ccc(Cl)s2)nc1C
InChIInChI=1S/C14H15ClN2O3S2/c1-3-6-17(7-11(18)19)14(20)12-8(2)16-13(22-12)9-4-5-10(15)21-9/h4-5H,3,6-7H2,1-2H3,(H,18,19)
InChIKeySSTNRMBFEQXOII-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.77
Rot. Bonds6

About 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (PubChem CID 119205644) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
PubChem CID119205644
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(-c2ccc(Cl)s2)nc1C
InChIInChI=1S/C14H15ClN2O3S2/c1-3-6-17(7-11(18)19)14(20)12-8(2)16-13(22-12)9-4-5-10(15)21-9/h4-5H,3,6-7H2,1-2H3,(H,18,19)
InChIKeySSTNRMBFEQXOII-UHFFFAOYSA-N
XLogP3.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205389
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 119205538
N-(3-amino-4-methylpentyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119658120
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191125
4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 38488519
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (CID 119205644) is 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1sc(-c2ccc(Cl)s2)nc1C.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The InChIKey is SSTNRMBFEQXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-3-6-17(7-11(18)19)14(20)12-8(2)16-13(22-12)9-4-5-10(15)21-9/h4-5H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid has a molecular weight of 358.87 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).