3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide

C18H18ClN3OS — CID 176560030

IUPAC3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESNC(=O)c1cccc(CC(NC2=NCCS2)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3OS/c19-15-6-2-4-13(11-15)16(22-18-21-7-8-24-18)10-12-3-1-5-14(9-12)17(20)23/h1-6,9,11,16H,7-8,10H2,(H2,20,23)(H,21,22)
InChIKeyHFARZGPLSNTYCR-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.42
Rot. Bonds5

About 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide

3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 176560030) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID176560030
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESNC(=O)c1cccc(CC(NC2=NCCS2)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3OS/c19-15-6-2-4-13(11-15)16(22-18-21-7-8-24-18)10-12-3-1-5-14(9-12)17(20)23/h1-6,9,11,16H,7-8,10H2,(H2,20,23)(H,21,22)
InChIKeyHFARZGPLSNTYCR-UHFFFAOYSA-N
XLogP3.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 60572586
2-(3-benzoylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 71442903
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
CID 43706964
3-(2-methylpropyl)benzamide
CID 23130390
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
1-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 70948826
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide (CID 176560030) is 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide is NC(=O)c1cccc(CC(NC2=NCCS2)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is HFARZGPLSNTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-15-6-2-4-13(11-15)16(22-18-21-7-8-24-18)10-12-3-1-5-14(9-12)17(20)23/h1-6,9,11,16H,7-8,10H2,(H2,20,23)(H,21,22).
What are the key properties of 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide?
3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 359.88 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 176560030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).