3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide

C18H14ClN3O3S — CID 1407388

IUPAC3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H14ClN3O3S/c19-14-3-1-2-12(10-14)4-9-17(23)21-18-20-16(11-26-18)13-5-7-15(8-6-13)22(24)25/h1-3,5-8,10-11H,4,9H2,(H,20,21,23)
InChIKeyIZIREUGWNXDJDD-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.94
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide

3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 1407388) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID1407388
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H14ClN3O3S/c19-14-3-1-2-12(10-14)4-9-17(23)21-18-20-16(11-26-18)13-5-7-15(8-6-13)22(24)25/h1-3,5-8,10-11H,4,9H2,(H,20,21,23)
InChIKeyIZIREUGWNXDJDD-UHFFFAOYSA-N
XLogP4.94
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235089
N-(2-chloro-4-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550916
2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 118986380
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
4-(4-chlorophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 19184062
N-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18900085
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide (CID 1407388) is 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IZIREUGWNXDJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-14-3-1-2-12(10-14)4-9-17(23)21-18-20-16(11-26-18)13-5-7-15(8-6-13)22(24)25/h1-3,5-8,10-11H,4,9H2,(H,20,21,23).
What are the key properties of 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 387.85 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1407388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).