5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C12H14N4O2S — CID 80624604

IUPAC5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S/c1-7(8-3-5-9(18-2)6-4-8)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H2,13,16)(H,14,17)
InChIKeyGNJYSDDYWVTGMC-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.62
Rot. Bonds4

About 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624604) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624604
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S/c1-7(8-3-5-9(18-2)6-4-8)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H2,13,16)(H,14,17)
InChIKeyGNJYSDDYWVTGMC-UHFFFAOYSA-N
XLogP1.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617577
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616077
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 106389790
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617590
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80624604) is 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is COc1ccc(C(C)NC(=O)c2nnc(N)s2)cc1.
What is the InChIKey of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GNJYSDDYWVTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7(8-3-5-9(18-2)6-4-8)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).