4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

C13H24N4S — CID 55046139

IUPAC4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC1CC1)C(C)C
InChIInChI=1S/C13H24N4S/c1-4-7-14-13-12(15-16-18-13)9-17(10(2)3)8-11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyRRECHOZSOWOZGC-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.98
Rot. Bonds8

About 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046139) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046139
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC1CC1)C(C)C
InChIInChI=1S/C13H24N4S/c1-4-7-14-13-12(15-16-18-13)9-17(10(2)3)8-11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyRRECHOZSOWOZGC-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046139) is 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC1CC1)C(C)C.
What is the InChIKey of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is RRECHOZSOWOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-7-14-13-12(15-16-18-13)9-17(10(2)3)8-11-5-6-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).