chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate

C7H9ClN2O2S — CID 174643774

IUPACchloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
SMILESCCC(C(=O)OCl)c1csc(N)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-4(6(11)12-8)5-3-13-7(9)10-5/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyZUBMBUNWTJIDTQ-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.92
Rot. Bonds3

About chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate

chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate (PubChem CID 174643774) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate.

Molecular Properties

Compound Namechloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
PubChem CID174643774
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Namechloro 2-(2-amino-1,3-thiazol-4-yl)butanoate
SMILESCCC(C(=O)OCl)c1csc(N)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-4(6(11)12-8)5-3-13-7(9)10-5/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyZUBMBUNWTJIDTQ-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
[3-amino-2-(2-amino-1,3-thiazol-4-yl)-3-oxopropyl] 2,2-dimethylpropanoate
CID 88775732
methyl 2-(2-tert-butyl-1,3-thiazol-4-yl)butanoate
CID 116891437
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetaldehyde
CID 54337328
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
acetic acid;ethyl 2-(2-carbamimidoyl-1,3-thiazol-4-yl)butanoate
CID 174714544
methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
CID 116891448
1-bromo-3-methylbutan-2-one;4-propan-2-yl-1,3-thiazol-2-amine
CID 87581796
2-(2-amino-1,3-thiazol-4-yl)-3-(2-oxoethylideneamino)oxypropanoic acid
CID 54442886
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095

Frequently Asked Questions

What is the IUPAC name of chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate?
The IUPAC name of chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate (CID 174643774) is chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate.
What is the SMILES notation for chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate?
The canonical SMILES for chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate is CCC(C(=O)OCl)c1csc(N)n1.
What is the InChIKey of chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate?
The InChIKey is ZUBMBUNWTJIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-2-4(6(11)12-8)5-3-13-7(9)10-5/h3-4H,2H2,1H3,(H2,9,10).
What are the key properties of chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate?
chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate has a molecular weight of 220.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(2-amino-1,3-thiazol-4-yl)butanoate is sourced from PubChem (CID 174643774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).