N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C17H14N2OS — CID 702335

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CC1
InChIInChI=1S/C17H14N2OS/c20-16(12-6-7-12)19-17-18-15(10-21-17)14-8-5-11-3-1-2-4-13(11)9-14/h1-5,8-10,12H,6-7H2,(H,18,19,20)
InChIKeyBMVGSGDKQMXFPK-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.31
Rot. Bonds3

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 702335) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID702335
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CC1
InChIInChI=1S/C17H14N2OS/c20-16(12-6-7-12)19-17-18-15(10-21-17)14-8-5-11-3-1-2-4-13(11)9-14/h1-5,8-10,12H,6-7H2,(H,18,19,20)
InChIKeyBMVGSGDKQMXFPK-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 702335) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CC1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is BMVGSGDKQMXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-16(12-6-7-12)19-17-18-15(10-21-17)14-8-5-11-3-1-2-4-13(11)9-14/h1-5,8-10,12H,6-7H2,(H,18,19,20).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 294.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 702335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).