5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C14H25N5S — CID 80606715

IUPAC5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyQHERQBRBJLSXMC-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.89
Rot. Bonds7

About 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606715) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606715
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyQHERQBRBJLSXMC-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-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 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606715) is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCN(CC3CC3)CC2)s1.
What is the InChIKey of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QHERQBRBJLSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17).
What are the key properties of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).