4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile

C15H14N2O2S — CID 82437470

IUPAC4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc(C3CC3)c(C#N)s2)c1
InChIInChI=1S/C15H14N2O2S/c1-18-10-5-6-12(19-2)11(7-10)15-17-14(9-3-4-9)13(8-16)20-15/h5-7,9H,3-4H2,1-2H3
InChIKeyNHJLDCTWHSYRTP-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.58
Rot. Bonds4

About 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82437470) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID82437470
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(OC)c(-c2nc(C3CC3)c(C#N)s2)c1
InChIInChI=1S/C15H14N2O2S/c1-18-10-5-6-12(19-2)11(7-10)15-17-14(9-3-4-9)13(8-16)20-15/h5-7,9H,3-4H2,1-2H3
InChIKeyNHJLDCTWHSYRTP-UHFFFAOYSA-N
XLogP3.58
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436102
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
6-cyclopropyl-2-(2,5-dimethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66312591
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile (CID 82437470) is 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile is COc1ccc(OC)c(-c2nc(C3CC3)c(C#N)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NHJLDCTWHSYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-10-5-6-12(19-2)11(7-10)15-17-14(9-3-4-9)13(8-16)20-15/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82437470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).