2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

C14H13ClN2OS — CID 82440119

IUPAC2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1nc(Cc2ccc(Cl)cc2)sc1CC#N
InChIInChI=1S/C14H13ClN2OS/c1-18-9-12-13(6-7-16)19-14(17-12)8-10-2-4-11(15)5-3-10/h2-5H,6,8-9H2,1H3
InChIKeyOSBWUCQBGMFXML-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.60
Rot. Bonds5

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

2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82440119) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82440119
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1nc(Cc2ccc(Cl)cc2)sc1CC#N
InChIInChI=1S/C14H13ClN2OS/c1-18-9-12-13(6-7-16)19-14(17-12)8-10-2-4-11(15)5-3-10/h2-5H,6,8-9H2,1H3
InChIKeyOSBWUCQBGMFXML-UHFFFAOYSA-N
XLogP3.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
2-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441464
[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099022
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
2-[2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82433828
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (CID 82440119) is 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is COCc1nc(Cc2ccc(Cl)cc2)sc1CC#N.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is OSBWUCQBGMFXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-18-9-12-13(6-7-16)19-14(17-12)8-10-2-4-11(15)5-3-10/h2-5H,6,8-9H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 292.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82440119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).