N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 133365965

IUPACN-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)c1nnc(C(C)C)s1
InChIInChI=1S/C10H19N3S/c1-5-6-7-13(4)10-12-11-9(14-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyGYUXNWFPXLYNCQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.90
Rot. Bonds5

About N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133365965) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133365965
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)c1nnc(C(C)C)s1
InChIInChI=1S/C10H19N3S/c1-5-6-7-13(4)10-12-11-9(14-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyGYUXNWFPXLYNCQ-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-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 N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 133365965) is N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CCCCN(C)c1nnc(C(C)C)s1.
What is the InChIKey of N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is GYUXNWFPXLYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6-7-13(4)10-12-11-9(14-10)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133365965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).