N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide

C13H14N4O2S — CID 47350587

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cnsn1
InChIInChI=1S/C13H14N4O2S/c14-12(18)6-7-17(9-10-4-2-1-3-5-10)13(19)11-8-15-20-16-11/h1-5,8H,6-7,9H2,(H2,14,18)
InChIKeyDQSNMSHHHFPIII-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.06
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47350587) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID47350587
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cnsn1
InChIInChI=1S/C13H14N4O2S/c14-12(18)6-7-17(9-10-4-2-1-3-5-10)13(19)11-8-15-20-16-11/h1-5,8H,6-7,9H2,(H2,14,18)
InChIKeyDQSNMSHHHFPIII-UHFFFAOYSA-N
XLogP1.06
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
CID 99828131
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
N',N'-dibenzylbutanediamide
CID 101024490
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide (CID 47350587) is N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1cnsn1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is DQSNMSHHHFPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-12(18)6-7-17(9-10-4-2-1-3-5-10)13(19)11-8-15-20-16-11/h1-5,8H,6-7,9H2,(H2,14,18).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47350587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).