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

C19H22N4O2S — CID 78816299

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccccc2OCc2cscn2)n1
InChIInChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)9-5-8-20-19(24)17-6-3-4-7-18(17)25-11-16-12-26-13-21-16/h3-4,6-7,10,12-13H,5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyVWNVWWZNRFWIHY-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.36
Rot. Bonds8

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 78816299) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID78816299
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccccc2OCc2cscn2)n1
InChIInChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)9-5-8-20-19(24)17-6-3-4-7-18(17)25-11-16-12-26-13-21-16/h3-4,6-7,10,12-13H,5,8-9,11H2,1-2H3,(H,20,24)
InChIKeyVWNVWWZNRFWIHY-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19507154
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038910
2-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119179433
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 78816299) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1cc(C)n(CCCNC(=O)c2ccccc2OCc2cscn2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is VWNVWWZNRFWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)9-5-8-20-19(24)17-6-3-4-7-18(17)25-11-16-12-26-13-21-16/h3-4,6-7,10,12-13H,5,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 370.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 78816299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).