5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine

C14H15N5OS — CID 146046184

IUPAC5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine
SMILESCc1nc(-c2ccc3sc(N)nc3c2)n(C2CCOC2)n1
InChIInChI=1S/C14H15N5OS/c1-8-16-13(19(18-8)10-4-5-20-7-10)9-2-3-12-11(6-9)17-14(15)21-12/h2-3,6,10H,4-5,7H2,1H3,(H2,15,17)
InChIKeyVKWHVFFZSAWGRU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.41
Rot. Bonds2

About 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine

5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine (PubChem CID 146046184) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine
PubChem CID146046184
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine
SMILESCc1nc(-c2ccc3sc(N)nc3c2)n(C2CCOC2)n1
InChIInChI=1S/C14H15N5OS/c1-8-16-13(19(18-8)10-4-5-20-7-10)9-2-3-12-11(6-9)17-14(15)21-12/h2-3,6,10H,4-5,7H2,1H3,(H2,15,17)
InChIKeyVKWHVFFZSAWGRU-UHFFFAOYSA-N
XLogP2.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine 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

2-[5-(2-amino-1,3-benzothiazol-5-yl)-1-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146042767
trans-(1R,2R)-2-[5-(2-amino-1,3-benzothiazol-5-yl)-3-methyl-1,2,4-triazol-1-yl]cyclohexan-1-ol
CID 146044122
2-[5-(2-amino-1,3-benzothiazol-5-yl)-1-(1,4-dioxan-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 146040270
2,3-dimethyl-6-[2-(oxolan-3-yl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]quinoxaline
CID 154874016
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-amine
CID 63558947
4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 80715215
6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
CID 171554154
5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
CID 80714219
2-[5-(2-amino-1,3-benzothiazol-5-yl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040606
5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
CID 167555491
6-chloro-3-[5-methyl-2-(oxan-3-yl)-1,2,4-triazol-3-yl]-1H-indole
CID 167832231

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine (CID 146046184) is 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine is Cc1nc(-c2ccc3sc(N)nc3c2)n(C2CCOC2)n1.
What is the InChIKey of 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine?
The InChIKey is VKWHVFFZSAWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-16-13(19(18-8)10-4-5-20-7-10)9-2-3-12-11(6-9)17-14(15)21-12/h2-3,6,10H,4-5,7H2,1H3,(H2,15,17).
What are the key properties of 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine?
5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146046184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).