N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide

C14H12N2OS — CID 960163

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(NC1=NCCS1)c1cccc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-13(16-14-15-8-9-18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16,17)
InChIKeyCPXVKYJOWFABQU-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.67
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 960163) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide
PubChem CID960163
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(NC1=NCCS1)c1cccc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-13(16-14-15-8-9-18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16,17)
InChIKeyCPXVKYJOWFABQU-UHFFFAOYSA-N
XLogP2.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide (CID 960163) is N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide is O=C(NC1=NCCS1)c1cccc2ccccc12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is CPXVKYJOWFABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13(16-14-15-8-9-18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 960163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).