N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide

C19H17N3O4S — CID 7916016

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)cc1
InChIInChI=1S/C19H17N3O4S/c1-11-5-4-6-15(17(11)22(24)25)18(23)21-19-20-16(12(2)27-19)13-7-9-14(26-3)10-8-13/h4-10H,1-3H3,(H,20,21,23)
InChIKeyHZMPPTDOGCCOOP-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide (PubChem CID 7916016) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
PubChem CID7916016
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)cc1
InChIInChI=1S/C19H17N3O4S/c1-11-5-4-6-15(17(11)22(24)25)18(23)21-19-20-16(12(2)27-19)13-7-9-14(26-3)10-8-13/h4-10H,1-3H3,(H,20,21,23)
InChIKeyHZMPPTDOGCCOOP-UHFFFAOYSA-N
XLogP4.60
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
2-(dimethylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 8780968
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 7916082
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3702145
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide (CID 7916016) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide is COc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide?
The InChIKey is HZMPPTDOGCCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-11-5-4-6-15(17(11)22(24)25)18(23)21-19-20-16(12(2)27-19)13-7-9-14(26-3)10-8-13/h4-10H,1-3H3,(H,20,21,23).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide has a molecular weight of 383.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 7916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).