5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C18H12ClN5S — CID 58416172

IUPAC5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C18H12ClN5S/c1-11-16(25-18(22-11)12-4-3-8-20-10-12)13-7-9-21-17(24-13)14-5-2-6-15(19)23-14/h2-10H,1H3
InChIKeyLRBVXUULRCTAPG-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.69
Rot. Bonds3

About 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416172) has the molecular formula C18H12ClN5S and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416172
Molecular FormulaC18H12ClN5S
Molecular Weight365.85 g/mol
Exact Mass365.05
IUPAC Name5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C18H12ClN5S/c1-11-16(25-18(22-11)12-4-3-8-20-10-12)13-7-9-21-17(24-13)14-5-2-6-15(19)23-14/h2-10H,1H3
InChIKeyLRBVXUULRCTAPG-UHFFFAOYSA-N
XLogP4.69
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416172) is 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccnc(-c2cccc(Cl)n2)n1.
What is the InChIKey of 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is LRBVXUULRCTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5S/c1-11-16(25-18(22-11)12-4-3-8-20-10-12)13-7-9-21-17(24-13)14-5-2-6-15(19)23-14/h2-10H,1H3.
What are the key properties of 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 365.85 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).