N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine

C16H15ClN4S — CID 166340336

IUPACN-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C16H15ClN4S/c1-21(2)13-6-3-11(4-7-13)14-10-22-16(20-14)19-12-5-8-15(17)18-9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyFEQJPIXHTDFAJN-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.67
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine

N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine (PubChem CID 166340336) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
PubChem CID166340336
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC NameN-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C16H15ClN4S/c1-21(2)13-6-3-11(4-7-13)14-10-22-16(20-14)19-12-5-8-15(17)18-9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyFEQJPIXHTDFAJN-UHFFFAOYSA-N
XLogP4.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine (CID 166340336) is N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine is CN(C)c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The InChIKey is FEQJPIXHTDFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-21(2)13-6-3-11(4-7-13)14-10-22-16(20-14)19-12-5-8-15(17)18-9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166340336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).