N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide

C21H17N3OS — CID 7119161

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccc2ccccc12
InChIInChI=1S/C21H17N3OS/c25-20(19-9-3-6-15-5-1-2-8-18(15)19)23-12-10-17-14-26-21(24-17)16-7-4-11-22-13-16/h1-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyHQISNRFMVRRSPJ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 7119161) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
PubChem CID7119161
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccc2ccccc12
InChIInChI=1S/C21H17N3OS/c25-20(19-9-3-6-15-5-1-2-8-18(15)19)23-12-10-17-14-26-21(24-17)16-7-4-11-22-13-16/h1-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyHQISNRFMVRRSPJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide (CID 7119161) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is HQISNRFMVRRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-20(19-9-3-6-15-5-1-2-8-18(15)19)23-12-10-17-14-26-21(24-17)16-7-4-11-22-13-16/h1-9,11,13-14H,10,12H2,(H,23,25).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 7119161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).