2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile

C12H11N3OS — CID 82479008

IUPAC2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
SMILESCOc1ccc(-c2sc(CN)nc2C#N)cc1
InChIInChI=1S/C12H11N3OS/c1-16-9-4-2-8(3-5-9)12-10(6-13)15-11(7-14)17-12/h2-5H,7,14H2,1H3
InChIKeyOFQRTRPFXUUDSY-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.15
Rot. Bonds3

About 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile

2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 82479008) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
PubChem CID82479008
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
SMILESCOc1ccc(-c2sc(CN)nc2C#N)cc1
InChIInChI=1S/C12H11N3OS/c1-16-9-4-2-8(3-5-9)12-10(6-13)15-11(7-14)17-12/h2-5H,7,14H2,1H3
InChIKeyOFQRTRPFXUUDSY-UHFFFAOYSA-N
XLogP2.15
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 16752530
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960
2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 96669115
[2-chloro-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]methanamine
CID 114748563
4-(4-methoxyphenyl)pyridazine-3-carbonitrile
CID 71185363
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-cyanoprop-2-enoate
CID 10070754
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile (CID 82479008) is 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile is COc1ccc(-c2sc(CN)nc2C#N)cc1.
What is the InChIKey of 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is OFQRTRPFXUUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-16-9-4-2-8(3-5-9)12-10(6-13)15-11(7-14)17-12/h2-5H,7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile?
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82479008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).