1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

C10H10N2O2S2 — CID 112643735

IUPAC1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2cncs2)cc1N
InChIInChI=1S/C10H10N2O2S2/c1-6-8(11)2-9(16-6)10(13)14-4-7-3-12-5-15-7/h2-3,5H,4,11H2,1H3
InChIKeySSMSQKIYLZQFQV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.45
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 112643735) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID112643735
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2cncs2)cc1N
InChIInChI=1S/C10H10N2O2S2/c1-6-8(11)2-9(16-6)10(13)14-4-7-3-12-5-15-7/h2-3,5H,4,11H2,1H3
InChIKeySSMSQKIYLZQFQV-UHFFFAOYSA-N
XLogP2.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (CID 112643735) is 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCc2cncs2)cc1N.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is SSMSQKIYLZQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-6-8(11)2-9(16-6)10(13)14-4-7-3-12-5-15-7/h2-3,5H,4,11H2,1H3.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 254.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 112643735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).