methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate

C10H8ClN3O2S — CID 171096034

IUPACmethyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ncccc2Cl)c1N
InChIInChI=1S/C10H8ClN3O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,12H2,1H3
InChIKeySHDRUZXHAMXIAH-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.23
Rot. Bonds2

About methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate

methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate (PubChem CID 171096034) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
PubChem CID171096034
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Namemethyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ncccc2Cl)c1N
InChIInChI=1S/C10H8ClN3O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,12H2,1H3
InChIKeySHDRUZXHAMXIAH-UHFFFAOYSA-N
XLogP2.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate
CID 171095803
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazole-4-carboxylate
CID 141390036
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
CID 58553621
methyl 3-amino-4-chlorothiophene-2-carboxylate
CID 22139844
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
2-amino-4-(3-chloro-2-pyridinyl)benzoic acid;(3-amino-4-methoxycarbonylphenyl)boronic acid
CID 162108740

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate (CID 171096034) is methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate is COC(=O)c1snc(-c2ncccc2Cl)c1N.
What is the InChIKey of methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate?
The InChIKey is SHDRUZXHAMXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,12H2,1H3.
What are the key properties of methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate has a molecular weight of 269.71 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 171096034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).