N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C19H22N4O3S — CID 86860467

IUPACN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1OCc1cscn1
InChIInChI=1S/C19H22N4O3S/c1-19(2,3)23-9-14(8-21-23)22-18(24)13-5-6-16(17(7-13)25-4)26-10-15-11-27-12-20-15/h5-9,11-12H,10H2,1-4H3,(H,22,24)
InChIKeyTVSOYFQTEOUDJV-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.93
Rot. Bonds6

About N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86860467) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86860467
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1OCc1cscn1
InChIInChI=1S/C19H22N4O3S/c1-19(2,3)23-9-14(8-21-23)22-18(24)13-5-6-16(17(7-13)25-4)26-10-15-11-27-12-20-15/h5-9,11-12H,10H2,1-4H3,(H,22,24)
InChIKeyTVSOYFQTEOUDJV-UHFFFAOYSA-N
XLogP3.93
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55973162
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86860467) is N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1OCc1cscn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is TVSOYFQTEOUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-19(2,3)23-9-14(8-21-23)22-18(24)13-5-6-16(17(7-13)25-4)26-10-15-11-27-12-20-15/h5-9,11-12H,10H2,1-4H3,(H,22,24).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 386.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).