4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile

C18H14N8OS — CID 18516921

IUPAC4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(OCCn3nccn3)cc2)nc1-c1nccs1
InChIInChI=1S/C18H14N8OS/c19-11-13-12-21-18(25-16(13)17-20-7-10-28-17)24-14-1-3-15(4-2-14)27-9-8-26-22-5-6-23-26/h1-7,10,12H,8-9H2,(H,21,24,25)
InChIKeySQDKYFSSIKFEAL-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.89
Rot. Bonds7

About 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile

4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile (PubChem CID 18516921) has the molecular formula C18H14N8OS and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile
PubChem CID18516921
Molecular FormulaC18H14N8OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC Name4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(OCCn3nccn3)cc2)nc1-c1nccs1
InChIInChI=1S/C18H14N8OS/c19-11-13-12-21-18(25-16(13)17-20-7-10-28-17)24-14-1-3-15(4-2-14)27-9-8-26-22-5-6-23-26/h1-7,10,12H,8-9H2,(H,21,24,25)
InChIKeySQDKYFSSIKFEAL-UHFFFAOYSA-N
XLogP2.89
TPSA114.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(3,4-dimethoxyanilino)-4-(1,3-thiazol-2-yl)pyrimidine-5-carbonitrile
CID 18517032
2-(4-butoxyanilino)-4-phenylpyrimidine-5-carbonitrile
CID 18516887
5-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]thiophene-2-carbonitrile
CID 25256509
4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]anilino]pyrimidine-5-carbonitrile
CID 18516938
2-(4-morpholin-4-ylanilino)-4-pyridin-3-ylpyrimidine-5-carbonitrile
CID 18517025
2-[4-[(5-cyano-4-phenylpyrimidin-2-yl)amino]phenyl]ethyl 2-methylbenzenesulfonate
CID 57190437
5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
CID 175907010
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 42623141
2-amino-5-[(6-methoxyquinazolin-2-yl)amino]benzonitrile
CID 141430956
7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710881
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-thieno[2,3-d]pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 24986952

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile (CID 18516921) is 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc(OCCn3nccn3)cc2)nc1-c1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile?
The InChIKey is SQDKYFSSIKFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8OS/c19-11-13-12-21-18(25-16(13)17-20-7-10-28-17)24-14-1-3-15(4-2-14)27-9-8-26-22-5-6-23-26/h1-7,10,12H,8-9H2,(H,21,24,25).
What are the key properties of 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile?
4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile has a molecular weight of 390.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-2-[4-[2-(triazol-2-yl)ethoxy]anilino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 18516921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).