N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide

C16H16N4OS — CID 138026322

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
SMILESCCc1cnc(CCNC(=O)c2nccc3cccnc23)s1
InChIInChI=1S/C16H16N4OS/c1-2-12-10-20-13(22-12)6-9-19-16(21)15-14-11(5-8-18-15)4-3-7-17-14/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,21)
InChIKeyOXHGUTGQMLYECK-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide (PubChem CID 138026322) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
PubChem CID138026322
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
SMILESCCc1cnc(CCNC(=O)c2nccc3cccnc23)s1
InChIInChI=1S/C16H16N4OS/c1-2-12-10-20-13(22-12)6-9-19-16(21)15-14-11(5-8-18-15)4-3-7-17-14/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,21)
InChIKeyOXHGUTGQMLYECK-UHFFFAOYSA-N
XLogP2.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026320
2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119186959
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 71867691
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(2-naphthalen-1-ylethyl)guanidine
CID 111532979
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111531926
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96568187

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide (CID 138026322) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide is CCc1cnc(CCNC(=O)c2nccc3cccnc23)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide?
The InChIKey is OXHGUTGQMLYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-12-10-20-13(22-12)6-9-19-16(21)15-14-11(5-8-18-15)4-3-7-17-14/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide is sourced from PubChem (CID 138026322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).