2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine

C8H15N3S — CID 65199468

IUPAC2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCc1nnsc1CNC(C)(C)C
InChIInChI=1S/C8H15N3S/c1-6-7(12-11-10-6)5-9-8(2,3)4/h9H,5H2,1-4H3
InChIKeySWULNYMBXZOASW-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.73
Rot. Bonds2

About 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine

2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine (PubChem CID 65199468) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine
PubChem CID65199468
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCc1nnsc1CNC(C)(C)C
InChIInChI=1S/C8H15N3S/c1-6-7(12-11-10-6)5-9-8(2,3)4/h9H,5H2,1-4H3
InChIKeySWULNYMBXZOASW-UHFFFAOYSA-N
XLogP1.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine (CID 65199468) is 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine is Cc1nnsc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is SWULNYMBXZOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-7(12-11-10-6)5-9-8(2,3)4/h9H,5H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine?
2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65199468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).