N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

C21H20N4O3S — CID 43000018

IUPACN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-14(26)23-17-9-7-15(8-10-17)18-13-29-21(24-18)25-19(27)11-12-22-20(28)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,26)(H,24,25,27)
InChIKeyPRMLVHPIZSAFKG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 43000018) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID43000018
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-14(26)23-17-9-7-15(8-10-17)18-13-29-21(24-18)25-19(27)11-12-22-20(28)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,26)(H,24,25,27)
InChIKeyPRMLVHPIZSAFKG-UHFFFAOYSA-N
XLogP3.53
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108739753
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 43000018) is N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is PRMLVHPIZSAFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14(26)23-17-9-7-15(8-10-17)18-13-29-21(24-18)25-19(27)11-12-22-20(28)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,26)(H,24,25,27).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 43000018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).