2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole

C17H20N4OS — CID 95128563

IUPAC2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole
SMILESCc1nc2ccc(-n3nc(C(C)C)nc3[C@H]3CCOC3)cc2s1
InChIInChI=1S/C17H20N4OS/c1-10(2)16-19-17(12-6-7-22-9-12)21(20-16)13-4-5-14-15(8-13)23-11(3)18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyUXDPXELSVJRFAK-LBPRGKRZSA-N
MW328.44 g/mol
LogP3.81
Rot. Bonds3

About 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole

2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole (PubChem CID 95128563) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole
PubChem CID95128563
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole
SMILESCc1nc2ccc(-n3nc(C(C)C)nc3[C@H]3CCOC3)cc2s1
InChIInChI=1S/C17H20N4OS/c1-10(2)16-19-17(12-6-7-22-9-12)21(20-16)13-4-5-14-15(8-13)23-11(3)18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyUXDPXELSVJRFAK-LBPRGKRZSA-N
XLogP3.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole 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-methyl-6-[5-(oxolan-3-ylmethyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole
CID 72879481
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50968304
6-[5-(4-chloro-1-methylpyrazol-3-yl)-3-cyclopropyl-1,2,4-triazol-1-yl]-2-methyl-1,3-benzothiazole
CID 72916280
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
CID 72938295
(5S)-2,2-dimethyl-5-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]thiomorpholin-3-one
CID 97142968
ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
CID 155572427
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)-5-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 97454500
4-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidin-2-one
CID 168688400
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
6-[5-[(1R)-1-ethoxyethyl]-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-1-yl]-2-methyl-1,3-benzothiazole
CID 97436503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole (CID 95128563) is 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole is Cc1nc2ccc(-n3nc(C(C)C)nc3[C@H]3CCOC3)cc2s1.
What is the InChIKey of 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole?
The InChIKey is UXDPXELSVJRFAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-10(2)16-19-17(12-6-7-22-9-12)21(20-16)13-4-5-14-15(8-13)23-11(3)18-14/h4-5,8,10,12H,6-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole?
2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole has a molecular weight of 328.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[(3R)-oxolan-3-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 95128563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).