2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C12H17N3S2 — CID 79818648

IUPAC2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cscc1-c1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C12H17N3S2/c1-8-6-16-7-9(8)11-15-14-10(17-11)5-13-12(2,3)4/h6-7,13H,5H2,1-4H3
InChIKeyXNSQEVGALBNHSG-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.46
Rot. Bonds3

About 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 79818648) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID79818648
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cscc1-c1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C12H17N3S2/c1-8-6-16-7-9(8)11-15-14-10(17-11)5-13-12(2,3)4/h6-7,13H,5H2,1-4H3
InChIKeyXNSQEVGALBNHSG-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 79818648) is 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is Cc1cscc1-c1nnc(CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is XNSQEVGALBNHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-8-6-16-7-9(8)11-15-14-10(17-11)5-13-12(2,3)4/h6-7,13H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 79818648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).