2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H18N4OS2 — CID 7475498

IUPAC2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@H](c3sccc3C)N3CCCC3)c(O)n2n1
InChIInChI=1S/C15H18N4OS2/c1-9-5-8-21-12(9)11(18-6-3-4-7-18)13-14(20)19-15(22-13)16-10(2)17-19/h5,8,11,20H,3-4,6-7H2,1-2H3/t11-/m0/s1
InChIKeyXYOANSHBGARZLO-NSHDSACASA-N
MW334.47 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7475498) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7475498
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@H](c3sccc3C)N3CCCC3)c(O)n2n1
InChIInChI=1S/C15H18N4OS2/c1-9-5-8-21-12(9)11(18-6-3-4-7-18)13-14(20)19-15(22-13)16-10(2)17-19/h5,8,11,20H,3-4,6-7H2,1-2H3/t11-/m0/s1
InChIKeyXYOANSHBGARZLO-NSHDSACASA-N
XLogP3.36
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol 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-[azepan-1-yl(phenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91632958
5-[azepan-1-yl(thiophen-3-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91821086
5-[furan-2-yl(pyrrolidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382476
5-[(4-bromophenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3686827
5-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198963
5-[(3,4-dichlorophenyl)-pyrrolidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807641
5-[(3,4-difluorophenyl)-pyrrolidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807642
5-[(2-methoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 44892645
5-[(R)-(4-benzhydrylpiperazin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675291
5-[(2-chloro-6-fluorophenyl)-pyrrolidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382466
2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105406
5-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7475498) is 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc([C@H](c3sccc3C)N3CCCC3)c(O)n2n1.
What is the InChIKey of 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is XYOANSHBGARZLO-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-9-5-8-21-12(9)11(18-6-3-4-7-18)13-14(20)19-15(22-13)16-10(2)17-19/h5,8,11,20H,3-4,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 334.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7475498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).