2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile

C16H16N2OS — CID 82436107

IUPAC2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
SMILESCOc1ccccc1Cc1nc(C2CC2)c(CC#N)s1
InChIInChI=1S/C16H16N2OS/c1-19-13-5-3-2-4-12(13)10-15-18-16(11-6-7-11)14(20-15)8-9-17/h2-5,11H,6-8,10H2,1H3
InChIKeyQBDBDNJORIMQNM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile

2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82436107) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
PubChem CID82436107
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
SMILESCOc1ccccc1Cc1nc(C2CC2)c(CC#N)s1
InChIInChI=1S/C16H16N2OS/c1-19-13-5-3-2-4-12(13)10-15-18-16(11-6-7-11)14(20-15)8-9-17/h2-5,11H,6-8,10H2,1H3
InChIKeyQBDBDNJORIMQNM-UHFFFAOYSA-N
XLogP3.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436102
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090
2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
CID 82436288
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
CID 82436116
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile (CID 82436107) is 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile is COc1ccccc1Cc1nc(C2CC2)c(CC#N)s1.
What is the InChIKey of 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is QBDBDNJORIMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-13-5-3-2-4-12(13)10-15-18-16(11-6-7-11)14(20-15)8-9-17/h2-5,11H,6-8,10H2,1H3.
What are the key properties of 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile?
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 284.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82436107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).