(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide

C15H20N4O2S2 — CID 31040358

IUPAC(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCCCc1nnc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)s1
InChIInChI=1S/C15H20N4O2S2/c1-3-4-7-14-18-19-15(23-14)17-13(21)9-11(16-10(2)20)12-6-5-8-22-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19,21)/t11-/m1/s1
InChIKeyMCGMVUMJAWDIGU-LLVKDONJSA-N
MW352.49 g/mol
LogP3.15
Rot. Bonds8

About (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide

(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 31040358) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID31040358
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCCCc1nnc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)s1
InChIInChI=1S/C15H20N4O2S2/c1-3-4-7-14-18-19-15(23-14)17-13(21)9-11(16-10(2)20)12-6-5-8-22-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19,21)/t11-/m1/s1
InChIKeyMCGMVUMJAWDIGU-LLVKDONJSA-N
XLogP3.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 47017517
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55487188

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide (CID 31040358) is (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide is CCCCc1nnc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)s1.
What is the InChIKey of (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is MCGMVUMJAWDIGU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-3-4-7-14-18-19-15(23-14)17-13(21)9-11(16-10(2)20)12-6-5-8-22-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,17,19,21)/t11-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 352.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 31040358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).