methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate

C9H12N2O2S — CID 10125165

IUPACmethyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate
SMILESCC/C=C(/C(=O)OC)c1csc(N)n1
InChIInChI=1S/C9H12N2O2S/c1-3-4-6(8(12)13-2)7-5-14-9(10)11-7/h4-5H,3H2,1-2H3,(H2,10,11)/b6-4+
InChIKeyYOTSQNHADQTUPF-GQCTYLIASA-N
MW212.27 g/mol
LogP1.69
Rot. Bonds3

About methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate

methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate (PubChem CID 10125165) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate
PubChem CID10125165
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate
SMILESCC/C=C(/C(=O)OC)c1csc(N)n1
InChIInChI=1S/C9H12N2O2S/c1-3-4-6(8(12)13-2)7-5-14-9(10)11-7/h4-5H,3H2,1-2H3,(H2,10,11)/b6-4+
InChIKeyYOTSQNHADQTUPF-GQCTYLIASA-N
XLogP1.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(2-t-butoxycarbonylamino-4-thiazolyl)pent-2-enoic acid
CID 10334852
Cefcapene Impurity 32
CID 22451400
Cefcapene Pivoxil Impurity 70
CID 88090371
Cefcapene Impurity 34
CID 10381741
3-(2-Amino-4-thiazolyl)-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54730323
(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid
CID 29927248
(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enedioic acid
CID 20212267
2-(2-t-Butoxycarbonylaminothiazol-4-yl)-pentenoic acid
CID 53400423
Cefcapene Pivoxil Impurity 68
CID 10087765
4-hydroxy-3-[2-(N'-isopropylidenehydrazino)-thiazol-4-yl]-6-methylpyran-2-one
CID 129768117
(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
CID 57433135
3-(2-Hydrazinyl-1,3-thiazol-4-yl)-4-hydroxy-6-methylpyran-2-one
CID 54730324

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate?
The IUPAC name of methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate (CID 10125165) is methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate.
What is the SMILES notation for methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate?
The canonical SMILES for methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate is CC/C=C(/C(=O)OC)c1csc(N)n1.
What is the InChIKey of methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate?
The InChIKey is YOTSQNHADQTUPF-GQCTYLIASA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-4-6(8(12)13-2)7-5-14-9(10)11-7/h4-5H,3H2,1-2H3,(H2,10,11)/b6-4+.
What are the key properties of methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate?
methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate has a molecular weight of 212.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate is sourced from PubChem (CID 10125165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).