N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide

C21H20N4OS — CID 90570879

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cccc4ccccc34)cs2)n1
InChIInChI=1S/C21H20N4OS/c1-14-12-15(2)25(24-14)21-23-17(13-27-21)10-11-22-20(26)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyMZCIUGXSVHUCCH-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 90570879) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
PubChem CID90570879
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cccc4ccccc34)cs2)n1
InChIInChI=1S/C21H20N4OS/c1-14-12-15(2)25(24-14)21-23-17(13-27-21)10-11-22-20(26)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)
InChIKeyMZCIUGXSVHUCCH-UHFFFAOYSA-N
XLogP4.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90570945
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
4-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 90570959
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90570922
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891
5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
CID 71802068
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90570791
1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide (CID 90570879) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3cccc4ccccc34)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is MZCIUGXSVHUCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-12-15(2)25(24-14)21-23-17(13-27-21)10-11-22-20(26)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13H,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90570879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).