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

C11H13N3OS — CID 857446

IUPACN-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3OS/c1-3-12-11-14-13-10(16-11)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyYDFONPQESSGLCZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 857446) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID857446
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3OS/c1-3-12-11-14-13-10(16-11)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyYDFONPQESSGLCZ-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]benzaldehyde
CID 87317532
5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 67236305
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
(2S)-2-(dimethylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 97329088
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 11233348
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
(2S)-2-(4-tert-butylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100721792
N-ethyl-5-quinolin-7-yl-1,3,4-thiadiazol-2-amine
CID 81222139
N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 122588918
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 857446) is N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YDFONPQESSGLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-12-11-14-13-10(16-11)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 857446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).