2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole

C12H16ClN3S — CID 151454471

IUPAC2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole
SMILES[H]/N=S1\C=C(C)C(C)N1CCc1ccc(Cl)nc1
InChIInChI=1S/C12H16ClN3S/c1-9-8-17(14)16(10(9)2)6-5-11-3-4-12(13)15-7-11/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyPHDUJOSXHLNZBL-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.18
Rot. Bonds3

About 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole

2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole (PubChem CID 151454471) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole.

Molecular Properties

Compound Name2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole
PubChem CID151454471
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole
SMILES[H]/N=S1\C=C(C)C(C)N1CCc1ccc(Cl)nc1
InChIInChI=1S/C12H16ClN3S/c1-9-8-17(14)16(10(9)2)6-5-11-3-4-12(13)15-7-11/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyPHDUJOSXHLNZBL-UHFFFAOYSA-N
XLogP3.18
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole?
The IUPAC name of 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole (CID 151454471) is 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole.
What is the SMILES notation for 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole?
The canonical SMILES for 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole is [H]/N=S1\C=C(C)C(C)N1CCc1ccc(Cl)nc1.
What is the InChIKey of 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole?
The InChIKey is PHDUJOSXHLNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-9-8-17(14)16(10(9)2)6-5-11-3-4-12(13)15-7-11/h3-4,7-8,10,14H,5-6H2,1-2H3.
What are the key properties of 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole?
2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole has a molecular weight of 269.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole is sourced from PubChem (CID 151454471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).