4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile

C15H14N2OS — CID 82436135

IUPAC4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(Cc2nc(C3CC3)c(C#N)s2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyCPLBPMSNJZYFHP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.49
Rot. Bonds4

About 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82436135) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82436135
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(Cc2nc(C3CC3)c(C#N)s2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyCPLBPMSNJZYFHP-UHFFFAOYSA-N
XLogP3.49
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436102
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975549
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090
4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437164
2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187787
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile (CID 82436135) is 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile is COc1ccc(Cc2nc(C3CC3)c(C#N)s2)cc1.
What is the InChIKey of 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is CPLBPMSNJZYFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-6-2-10(3-7-12)8-14-17-15(11-4-5-11)13(9-16)19-14/h2-3,6-7,11H,4-5,8H2,1H3.
What are the key properties of 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82436135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).