N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine

C10H14N4S — CID 20885086

IUPACN,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(-n2cccc2)s1
InChIInChI=1S/C10H14N4S/c1-3-13(4-2)9-11-12-10(15-9)14-7-5-6-8-14/h5-8H,3-4H2,1-2H3
InChIKeyUYEKORCRGZJFIK-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.17
Rot. Bonds4

About N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine

N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine (PubChem CID 20885086) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine
PubChem CID20885086
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(-n2cccc2)s1
InChIInChI=1S/C10H14N4S/c1-3-13(4-2)9-11-12-10(15-9)14-7-5-6-8-14/h5-8H,3-4H2,1-2H3
InChIKeyUYEKORCRGZJFIK-UHFFFAOYSA-N
XLogP2.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(1H-pyrrol-1-yl)-1,3,4-thiadiazole
CID 331154
2-(methylsulfanyl)-5-(1H-pyrrol-1-yl)-1,3,4-thiadiazole
CID 2804413
(E)-3-(dimethylamino)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]prop-2-enenitrile
CID 2800536
2-Cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole
CID 2814058
3-(Dimethylamino)-2-[(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]prop-2-enenitrile
CID 3490591
N,N'-thiocarbonyldiazole
CID 11615273
1'-Methyl-1,2'-bipyrrole
CID 25158349
5-pyrrol-1-yl-2H-tetrazole
CID 67857397
3,6-Di(azol-1-yl)-1,2,4,5-tetrazine
CID 101726616
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-pyrrol-1-yl-1,3,4-thiadiazole
CID 2804408
2-Pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 134116343
2-(Difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole
CID 134116967

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine (CID 20885086) is N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine is CCN(CC)c1nnc(-n2cccc2)s1.
What is the InChIKey of N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is UYEKORCRGZJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-13(4-2)9-11-12-10(15-9)14-7-5-6-8-14/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine?
N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 20885086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).