N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine

C16H14Cl2N4S — CID 10270181

IUPACN,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\Cc2ccc(Cl)nc2)n1Cc1ccc(Cl)nc1
InChIInChI=1S/C16H14Cl2N4S/c1-11-10-23-16(21-7-12-2-4-14(17)19-6-12)22(11)9-13-3-5-15(18)20-8-13/h2-6,8,10H,7,9H2,1H3/b21-16-
InChIKeyJNPDQGITGKKKGZ-PGMHBOJBSA-N
MW365.29 g/mol
LogP4.10
Rot. Bonds4

About N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine

N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine (PubChem CID 10270181) has the molecular formula C16H14Cl2N4S and a molecular weight of 365.29 g/mol. Its IUPAC name is N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine
PubChem CID10270181
Molecular FormulaC16H14Cl2N4S
Molecular Weight365.29 g/mol
Exact Mass364.03
IUPAC NameN,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\Cc2ccc(Cl)nc2)n1Cc1ccc(Cl)nc1
InChIInChI=1S/C16H14Cl2N4S/c1-11-10-23-16(21-7-12-2-4-14(17)19-6-12)22(11)9-13-3-5-15(18)20-8-13/h2-6,8,10H,7,9H2,1H3/b21-16-
InChIKeyJNPDQGITGKKKGZ-PGMHBOJBSA-N
XLogP4.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-3-hydroxy-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 11566023
5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
4-[(6-chloro-3-pyridinyl)methyl]-2-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 118594778
(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)cyanamide
CID 14442040
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
4-[(6-chloro-3-pyridinyl)methyl]-3-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 118594692
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
[6-[(6-chloro-3-pyridinyl)methyl]-4-methyl-3-thia-1,6-diazabicyclo[3.2.0]hept-4-en-2-ylidene]cyanamide
CID 20748452
4-[(6-chloro-3-pyridinyl)methyl]-2,3-dimethylthiomorpholine
CID 115635244
3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
CID 63312214
[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]hydrazine
CID 89371026

Frequently Asked Questions

What is the IUPAC name of N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine (CID 10270181) is N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine is Cc1cs/c(=N\Cc2ccc(Cl)nc2)n1Cc1ccc(Cl)nc1.
What is the InChIKey of N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine?
The InChIKey is JNPDQGITGKKKGZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C16H14Cl2N4S/c1-11-10-23-16(21-7-12-2-4-14(17)19-6-12)22(11)9-13-3-5-15(18)20-8-13/h2-6,8,10H,7,9H2,1H3/b21-16-.
What are the key properties of N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine?
N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine has a molecular weight of 365.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis[(6-chloro-3-pyridinyl)methyl]-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 10270181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).