2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide

C15H18N4OS — CID 171134904

IUPAC2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N(C)CC=Cc1ccccc1
InChIInChI=1S/C15H18N4OS/c1-12(14(20)17-15-18-16-11-21-15)19(2)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,17,18,20)
InChIKeySWUXZOQPSHCKGN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.51
Rot. Bonds6

About 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide

2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 171134904) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID171134904
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N(C)CC=Cc1ccccc1
InChIInChI=1S/C15H18N4OS/c1-12(14(20)17-15-18-16-11-21-15)19(2)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,17,18,20)
InChIKeySWUXZOQPSHCKGN-UHFFFAOYSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 118787807
2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]-N-phenylpropanamide
CID 91833950
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107648590

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 171134904) is 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C(=O)Nc1nncs1)N(C)CC=Cc1ccccc1.
What is the InChIKey of 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SWUXZOQPSHCKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-12(14(20)17-15-18-16-11-21-15)19(2)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 302.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 171134904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).