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

C18H12ClN5S — CID 58416088

IUPAC5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccc2Cl)n1
InChIInChI=1S/C18H12ClN5S/c1-11-16(25-18(23-11)12-4-2-7-20-10-12)14-6-9-22-17(24-14)15-13(19)5-3-8-21-15/h2-10H,1H3
InChIKeyKETRPOVQHTZTSI-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.69
Rot. Bonds3

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

5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416088) has the molecular formula C18H12ClN5S and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416088
Molecular FormulaC18H12ClN5S
Molecular Weight365.85 g/mol
Exact Mass365.05
IUPAC Name5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccc2Cl)n1
InChIInChI=1S/C18H12ClN5S/c1-11-16(25-18(23-11)12-4-2-7-20-10-12)14-6-9-22-17(24-14)15-13(19)5-3-8-21-15/h2-10H,1H3
InChIKeyKETRPOVQHTZTSI-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416088) is 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccc2Cl)n1.
What is the InChIKey of 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KETRPOVQHTZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5S/c1-11-16(25-18(23-11)12-4-2-7-20-10-12)14-6-9-22-17(24-14)15-13(19)5-3-8-21-15/h2-10H,1H3.
What are the key properties of 5-[2-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(3-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-(3-chloro-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).