N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine

C14H13N3S2 — CID 25198764

IUPACN-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(-c3ccccc3)s2)s1
InChIInChI=1S/C14H13N3S2/c1-2-15-14-17-16-13(19-14)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,17)
InChIKeyQOVXBINOKYVUEX-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.37
Rot. Bonds4

About N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 25198764) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID25198764
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(-c3ccccc3)s2)s1
InChIInChI=1S/C14H13N3S2/c1-2-15-14-17-16-13(19-14)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,17)
InChIKeyQOVXBINOKYVUEX-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine (CID 25198764) is N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc(-c3ccccc3)s2)s1.
What is the InChIKey of N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QOVXBINOKYVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-2-15-14-17-16-13(19-14)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,17).
What are the key properties of N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-phenylthiophen-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25198764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).