N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine

C18H27N5S2 — CID 30863378

IUPACN,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine
SMILESCCN(CC)CCSc1nnc(N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H27N5S2/c1-3-21(4-2)14-15-24-18-20-19-17(25-18)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyGGNJSPBDOBRUES-UHFFFAOYSA-N
MW377.58 g/mol
LogP3.30
Rot. Bonds8

About N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine

N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine (PubChem CID 30863378) has the molecular formula C18H27N5S2 and a molecular weight of 377.58 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine
PubChem CID30863378
Molecular FormulaC18H27N5S2
Molecular Weight377.58 g/mol
Exact Mass377.17
IUPAC NameN,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine
SMILESCCN(CC)CCSc1nnc(N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H27N5S2/c1-3-21(4-2)14-15-24-18-20-19-17(25-18)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
InChIKeyGGNJSPBDOBRUES-UHFFFAOYSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine?
The IUPAC name of N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine (CID 30863378) is N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine is CCN(CC)CCSc1nnc(N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine?
The InChIKey is GGNJSPBDOBRUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S2/c1-3-21(4-2)14-15-24-18-20-19-17(25-18)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine?
N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine has a molecular weight of 377.58 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine is sourced from PubChem (CID 30863378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).