N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

C19H15N3O3S — CID 24505642

IUPACN-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1)C1CC1
InChIInChI=1S/C19H15N3O3S/c23-18(12-7-8-12)20-15-5-1-4-14(9-15)19-21-17(11-26-19)13-3-2-6-16(10-13)22(24)25/h1-6,9-12H,7-8H2,(H,20,23)
InChIKeyQZSBRNIRJNYWNA-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.73
Rot. Bonds5

About N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 24505642) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID24505642
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1)C1CC1
InChIInChI=1S/C19H15N3O3S/c23-18(12-7-8-12)20-15-5-1-4-14(9-15)19-21-17(11-26-19)13-3-2-6-16(10-13)22(24)25/h1-6,9-12H,7-8H2,(H,20,23)
InChIKeyQZSBRNIRJNYWNA-UHFFFAOYSA-N
XLogP4.73
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.73
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

2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733841
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
N-[3-[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899067
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
N-[3-[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899103
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 24505642) is N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1)C1CC1.
What is the InChIKey of N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is QZSBRNIRJNYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18(12-7-8-12)20-15-5-1-4-14(9-15)19-21-17(11-26-19)13-3-2-6-16(10-13)22(24)25/h1-6,9-12H,7-8H2,(H,20,23).
What are the key properties of N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24505642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).