2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile

C13H8ClN5S — CID 90317115

IUPAC2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
SMILESCc1ccc2nc(C(C#N)c3ccnc(Cl)n3)sc2n1
InChIInChI=1S/C13H8ClN5S/c1-7-2-3-10-12(17-7)20-11(18-10)8(6-15)9-4-5-16-13(14)19-9/h2-5,8H,1H3
InChIKeyRFGJEIYZCLKFOR-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.10
Rot. Bonds2

About 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile

2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile (PubChem CID 90317115) has the molecular formula C13H8ClN5S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
PubChem CID90317115
Molecular FormulaC13H8ClN5S
Molecular Weight301.76 g/mol
Exact Mass301.02
IUPAC Name2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
SMILESCc1ccc2nc(C(C#N)c3ccnc(Cl)n3)sc2n1
InChIInChI=1S/C13H8ClN5S/c1-7-2-3-10-12(17-7)20-11(18-10)8(6-15)9-4-5-16-13(14)19-9/h2-5,8H,1H3
InChIKeyRFGJEIYZCLKFOR-UHFFFAOYSA-N
XLogP3.10
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile with MolForge

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 44449565
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzothiazole
CID 60165418
2-(Benzo[d]thiazol-2-yl)-2-(2-(methylamino)pyrimidin-4-yl)acetonitrile
CID 9814292
2-Isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine
CID 9860013
N,N-dimethyl-4-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
CID 9900111
N,N-dimethyl-4-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 9900245
1,3-benzothiazol-2-yl(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-pyrimidinyl)acetonitrile
CID 10269964
N,N-dimethyl-4-pyrazin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 44449567
N,N-dimethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 44449568
N,N-dimethyl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449635

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile (CID 90317115) is 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile is Cc1ccc2nc(C(C#N)c3ccnc(Cl)n3)sc2n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The InChIKey is RFGJEIYZCLKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5S/c1-7-2-3-10-12(17-7)20-11(18-10)8(6-15)9-4-5-16-13(14)19-9/h2-5,8H,1H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile has a molecular weight of 301.76 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 90317115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).