N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide

C14H15N3O2S — CID 63048716

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C14H15N3O2S/c15-13(18)6-7-17(8-11-4-2-1-3-5-11)14(19)12-9-20-10-16-12/h1-5,9-10H,6-8H2,(H2,15,18)
InChIKeySDZNDYSMUGAICM-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.66
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 63048716) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
PubChem CID63048716
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C14H15N3O2S/c15-13(18)6-7-17(8-11-4-2-1-3-5-11)14(19)12-9-20-10-16-12/h1-5,9-10H,6-8H2,(H2,15,18)
InChIKeySDZNDYSMUGAICM-UHFFFAOYSA-N
XLogP1.66
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 138044082
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
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-1,2,5-thiadiazole-3-carboxamide
CID 47350587
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide (CID 63048716) is N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1cscn1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide?
The InChIKey is SDZNDYSMUGAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-13(18)6-7-17(8-11-4-2-1-3-5-11)14(19)12-9-20-10-16-12/h1-5,9-10H,6-8H2,(H2,15,18).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).