2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile

C28H14Cl2N8S2 — CID 144657133

IUPAC2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl.N#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/2C14H7ClN4S/c2*15-13-12(11-9(7-16)3-2-6-18-11)20-14(19-13)10-4-1-5-17-8-10/h2*1-6,8H
InChIKeyUOKMMSAAXRRFIL-UHFFFAOYSA-N
MW597.52 g/mol
LogP7.58
Rot. Bonds4

About 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile

2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 144657133) has the molecular formula C28H14Cl2N8S2 and a molecular weight of 597.52 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
PubChem CID144657133
Molecular FormulaC28H14Cl2N8S2
Molecular Weight597.52 g/mol
Exact Mass596.02
IUPAC Name2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl.N#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/2C14H7ClN4S/c2*15-13-12(11-9(7-16)3-2-6-18-11)20-14(19-13)10-4-1-5-17-8-10/h2*1-6,8H
InChIKeyUOKMMSAAXRRFIL-UHFFFAOYSA-N
XLogP7.58
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.52
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123730233
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
6-(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-methylpyridine-3-carbonitrile
CID 123957892
3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
CID 86767902
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123832640
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 161077475
4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole
CID 71235469
2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
CID 173165260
2-(3-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 58049948

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile (CID 144657133) is 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl.N#Cc1cccnc1-c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is UOKMMSAAXRRFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H7ClN4S/c2*15-13-12(11-9(7-16)3-2-6-18-11)20-14(19-13)10-4-1-5-17-8-10/h2*1-6,8H.
What are the key properties of 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile?
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 597.52 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 144657133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).