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

C11H13N3S — CID 940404

IUPACN-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3S/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyTXVFCJCTSHHUML-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.95
Rot. Bonds3

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

N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 940404) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID940404
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3S/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyTXVFCJCTSHHUML-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 940404) is N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc(C)cc2)s1.
What is the InChIKey of N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TXVFCJCTSHHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 940404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).