[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine

C14H21N5S — CID 82221732

IUPAC[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1-c1nc2c(s1)CCCC2
InChIInChI=1S/C14H21N5S/c1-9(2)7-12-11(8-15)17-18-19(12)14-16-10-5-3-4-6-13(10)20-14/h9H,3-8,15H2,1-2H3
InChIKeyUAIDRKBPVVJUIP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.26
Rot. Bonds4

About [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine

[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82221732) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82221732
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1-c1nc2c(s1)CCCC2
InChIInChI=1S/C14H21N5S/c1-9(2)7-12-11(8-15)17-18-19(12)14-16-10-5-3-4-6-13(10)20-14/h9H,3-8,15H2,1-2H3
InChIKeyUAIDRKBPVVJUIP-UHFFFAOYSA-N
XLogP2.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
CID 82221731
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
5-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid
CID 82221675
5-(methoxymethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid
CID 82221678
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211136
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221857
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
CID 114868544
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
CID 82206632
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-(2-methylpropyl)triazol-4-yl]methanol
CID 82221572
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine (CID 82221732) is [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine is CC(C)Cc1c(CN)nnn1-c1nc2c(s1)CCCC2.
What is the InChIKey of [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is UAIDRKBPVVJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-9(2)7-12-11(8-15)17-18-19(12)14-16-10-5-3-4-6-13(10)20-14/h9H,3-8,15H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).