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

C14H15N3S — CID 82483133

IUPAC2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
SMILESCC(C)c1ccc(-c2sc(CN)nc2C#N)cc1
InChIInChI=1S/C14H15N3S/c1-9(2)10-3-5-11(6-4-10)14-12(7-15)17-13(8-16)18-14/h3-6,9H,8,16H2,1-2H3
InChIKeyRLKZFZUNWVDPJC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.26
Rot. Bonds3

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

2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 82483133) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
PubChem CID82483133
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
SMILESCC(C)c1ccc(-c2sc(CN)nc2C#N)cc1
InChIInChI=1S/C14H15N3S/c1-9(2)10-3-5-11(6-4-10)14-12(7-15)17-13(8-16)18-14/h3-6,9H,8,16H2,1-2H3
InChIKeyRLKZFZUNWVDPJC-UHFFFAOYSA-N
XLogP3.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
CID 82480749
(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 83850515
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
4-ethyl-2-methyl-5-(4-propan-2-ylphenyl)-1,3-thiazole
CID 70862177
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524025
[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
CID 82288528
3-amino-5-methyl-4-(4-propan-2-ylphenyl)thiophene-2-carbonitrile
CID 82120575
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile (CID 82483133) is 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile is CC(C)c1ccc(-c2sc(CN)nc2C#N)cc1.
What is the InChIKey of 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is RLKZFZUNWVDPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9(2)10-3-5-11(6-4-10)14-12(7-15)17-13(8-16)18-14/h3-6,9H,8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile?
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82483133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).