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

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Related Compounds

triazanium;7-(6-chloro-3-pyridinyl)heptylazanium;methanesulfonate
CID 139621052
4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 178122073
2-chloro-5-(10,10,10-trifluorodecyl)pyridine
CID 152535807
3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole
CID 154239330
2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
CID 116811691
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
3-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 18759786
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677

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).