N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C16H18N4OS — CID 51098490

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3=NCCS3)c2)n1
InChIInChI=1S/C16H18N4OS/c1-11-8-12(2)20(19-11)10-13-4-3-5-14(9-13)15(21)18-16-17-6-7-22-16/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,21)
InChIKeyOHMAQLWTHWHENZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.38
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 51098490) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID51098490
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3=NCCS3)c2)n1
InChIInChI=1S/C16H18N4OS/c1-11-8-12(2)20(19-11)10-13-4-3-5-14(9-13)15(21)18-16-17-6-7-22-16/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,21)
InChIKeyOHMAQLWTHWHENZ-UHFFFAOYSA-N
XLogP2.38
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
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N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
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N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
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3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
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3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
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CID 95595180
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 51098490) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NC3=NCCS3)c2)n1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is OHMAQLWTHWHENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-8-12(2)20(19-11)10-13-4-3-5-14(9-13)15(21)18-16-17-6-7-22-16/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 51098490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).