2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H12N4OS — CID 19164003

IUPAC2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H12N4OS/c16-10(14-11-15-13-8-17-11)7-12-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,14,15,16)
InChIKeyHUXRQQJZJLYJEU-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.27
Rot. Bonds5

About 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19164003) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19164003
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CNCc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H12N4OS/c16-10(14-11-15-13-8-17-11)7-12-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,14,15,16)
InChIKeyHUXRQQJZJLYJEU-UHFFFAOYSA-N
XLogP1.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-(benzylamino)acetohydrazide
CID 15118563
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 19164003) is 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CNCc1ccccc1)Nc1nncs1.
What is the InChIKey of 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HUXRQQJZJLYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-10(14-11-15-13-8-17-11)7-12-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,14,15,16).
What are the key properties of 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19164003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).