(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone

C11H11ClN4OS — CID 116585485

IUPAC(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
SMILESNCCc1nc(C(=O)c2cc(Cl)cnc2N)cs1
InChIInChI=1S/C11H11ClN4OS/c12-6-3-7(11(14)15-4-6)10(17)8-5-18-9(16-8)1-2-13/h3-5H,1-2,13H2,(H2,14,15)
InChIKeyMZOGNIZUTPGCCS-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.51
Rot. Bonds4

About (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone

(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 116585485) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
PubChem CID116585485
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
SMILESNCCc1nc(C(=O)c2cc(Cl)cnc2N)cs1
InChIInChI=1S/C11H11ClN4OS/c12-6-3-7(11(14)15-4-6)10(17)8-5-18-9(16-8)1-2-13/h3-5H,1-2,13H2,(H2,14,15)
InChIKeyMZOGNIZUTPGCCS-UHFFFAOYSA-N
XLogP1.51
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone 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

(2-amino-5-chloro-3-pyridinyl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
CID 116585198
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103133297
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
CID 116585385
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
CID 116585498

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone (CID 116585485) is (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone is NCCc1nc(C(=O)c2cc(Cl)cnc2N)cs1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is MZOGNIZUTPGCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-6-3-7(11(14)15-4-6)10(17)8-5-18-9(16-8)1-2-13/h3-5H,1-2,13H2,(H2,14,15).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone?
(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 282.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 116585485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).