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

C19H16N2OS — CID 868830

IUPACN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CC1
InChIInChI=1S/C19H16N2OS/c22-18(16-10-11-16)21-19-20-17(12-23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,21,22)
InChIKeyVWFVNWPQQLFHPN-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.83
Rot. Bonds4

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

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 868830) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID868830
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CC1
InChIInChI=1S/C19H16N2OS/c22-18(16-10-11-16)21-19-20-17(12-23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,21,22)
InChIKeyVWFVNWPQQLFHPN-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54339
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4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
TJ-M2010-5
CID 71542350
Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
CID 804919
2-Cinnamamido-4-phenylthiazole
CID 690181
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 824266
N1-(4-(3-aminophenyl)thiazol-2-yl)-N8-hydroxyoctanediamide
CID 24178404

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 868830) is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CC1.
What is the InChIKey of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is VWFVNWPQQLFHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-18(16-10-11-16)21-19-20-17(12-23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12,16H,10-11H2,(H,20,21,22).
What are the key properties of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 320.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 868830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).