3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C11H10ClN3OS — CID 1407434

IUPAC3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C11H10ClN3OS/c12-9-3-1-2-8(6-9)4-5-10(16)14-11-15-13-7-17-11/h1-3,6-7H,4-5H2,(H,14,15,16)
InChIKeyWFGJVUIAFUPAHV-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.76
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide

3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1407434) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1407434
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C11H10ClN3OS/c12-9-3-1-2-8(6-9)4-5-10(16)14-11-15-13-7-17-11/h1-3,6-7H,4-5H2,(H,14,15,16)
InChIKeyWFGJVUIAFUPAHV-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
CID 2072795
N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
CID 51087022
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 1407388
3-(3-chlorophenyl)propanoate
CID 6946708
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
3-[4-(tetrazol-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 56763325
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 1407434) is 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCc1cccc(Cl)c1)Nc1nncs1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WFGJVUIAFUPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-9-3-1-2-8(6-9)4-5-10(16)14-11-15-13-7-17-11/h1-3,6-7H,4-5H2,(H,14,15,16).
What are the key properties of 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 267.74 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1407434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).