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

C15H14N2OS — CID 82436102

IUPAC4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
SMILESCOc1ccccc1Cc1nc(C2CC2)c(C#N)s1
InChIInChI=1S/C15H14N2OS/c1-18-12-5-3-2-4-11(12)8-14-17-15(10-6-7-10)13(9-16)19-14/h2-5,10H,6-8H2,1H3
InChIKeyVEOLLCHCSHIFOY-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.49
Rot. Bonds4

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

4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82436102) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82436102
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
SMILESCOc1ccccc1Cc1nc(C2CC2)c(C#N)s1
InChIInChI=1S/C15H14N2OS/c1-18-12-5-3-2-4-11(12)8-14-17-15(10-6-7-10)13(9-16)19-14/h2-5,10H,6-8H2,1H3
InChIKeyVEOLLCHCSHIFOY-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

2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437164
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975723
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile (CID 82436102) is 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile is COc1ccccc1Cc1nc(C2CC2)c(C#N)s1.
What is the InChIKey of 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is VEOLLCHCSHIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-5-3-2-4-11(12)8-14-17-15(10-6-7-10)13(9-16)19-14/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[(2-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-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82436102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).