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

C13H17N5S — CID 82221731

IUPAC[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2nc3c(s2)CCCC3)c1C1CC1
InChIInChI=1S/C13H17N5S/c14-7-10-12(8-5-6-8)18(17-16-10)13-15-9-3-1-2-4-11(9)19-13/h8H,1-7,14H2
InChIKeyHAJGJNVQXKLMQK-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.94
Rot. Bonds3

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

[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82221731) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82221731
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(-c2nc3c(s2)CCCC3)c1C1CC1
InChIInChI=1S/C13H17N5S/c14-7-10-12(8-5-6-8)18(17-16-10)13-15-9-3-1-2-4-11(9)19-13/h8H,1-7,14H2
InChIKeyHAJGJNVQXKLMQK-UHFFFAOYSA-N
XLogP1.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
CID 82221732
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221862
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
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
[1,5-di(cyclobutyl)triazol-4-yl]methanamine
CID 105459690
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine
CID 83862912
4-[4-(aminomethyl)-5-cyclohexyltriazol-1-yl]benzoic acid
CID 82200012
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564
3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]aniline
CID 82221747
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine (CID 82221731) is [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine is NCc1nnn(-c2nc3c(s2)CCCC3)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is HAJGJNVQXKLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-7-10-12(8-5-6-8)18(17-16-10)13-15-9-3-1-2-4-11(9)19-13/h8H,1-7,14H2.
What are the key properties of [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine?
[5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 275.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).