3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole

C15H14Cl2N4S — CID 154239330

IUPAC3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole
SMILES[H]/N=S1\C=CN(c2ccc(Cl)nc2)C1(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H14Cl2N4S/c1-15(8-11-2-4-13(16)19-9-11)21(6-7-22(15)18)12-3-5-14(17)20-10-12/h2-7,9-10,18H,8H2,1H3
InChIKeyIVHJISXKKLLTLX-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.41
Rot. Bonds3

About 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole

3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole (PubChem CID 154239330) has the molecular formula C15H14Cl2N4S and a molecular weight of 353.28 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole
PubChem CID154239330
Molecular FormulaC15H14Cl2N4S
Molecular Weight353.28 g/mol
Exact Mass352.03
IUPAC Name3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole
SMILES[H]/N=S1\C=CN(c2ccc(Cl)nc2)C1(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H14Cl2N4S/c1-15(8-11-2-4-13(16)19-9-11)21(6-7-22(15)18)12-3-5-14(17)20-10-12/h2-7,9-10,18H,8H2,1H3
InChIKeyIVHJISXKKLLTLX-UHFFFAOYSA-N
XLogP4.41
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-chloro-3-pyridinyl)ethyl]-1-imino-3,4-dimethyl-3H-1,2-thiazole
CID 151454471
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-chloro-5-(2,5-dimethylpyrrol-1-yl)pyridine
CID 10965684
2-[(6-chloro-3-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886511
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
5-[(6-chloro-3-pyridinyl)methyl]-5-ethyl-2-methylidene-1,3-diazinane-4,6-dione
CID 89447707
1-[(6-chloro-3-pyridinyl)methyl]-2-iminoimidazolidin-4-one
CID 139597920
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole (CID 154239330) is 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole is [H]/N=S1\C=CN(c2ccc(Cl)nc2)C1(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole?
The InChIKey is IVHJISXKKLLTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4S/c1-15(8-11-2-4-13(16)19-9-11)21(6-7-22(15)18)12-3-5-14(17)20-10-12/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole?
3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole has a molecular weight of 353.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl]-1-imino-2-methyl-1,3-thiazole is sourced from PubChem (CID 154239330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).