N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C15H17N3O3S — CID 168863218

IUPACN-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Cc1cccc(C(=O)N(C)c2ncc([N+](=O)[O-])s2)c1
InChIInChI=1S/C15H17N3O3S/c1-10(2)7-11-5-4-6-12(8-11)14(19)17(3)15-16-9-13(22-15)18(20)21/h4-6,8-10H,7H2,1-3H3
InChIKeyHZZVJARIXYLDKB-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide

N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 168863218) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID168863218
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Cc1cccc(C(=O)N(C)c2ncc([N+](=O)[O-])s2)c1
InChIInChI=1S/C15H17N3O3S/c1-10(2)7-11-5-4-6-12(8-11)14(19)17(3)15-16-9-13(22-15)18(20)21/h4-6,8-10H,7H2,1-3H3
InChIKeyHZZVJARIXYLDKB-UHFFFAOYSA-N
XLogP3.53
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-(2-methylpropyl)benzamide
CID 23130390
(2S)-2-[methyl-[3-(2-methylpropyl)benzoyl]amino]butanedioic acid
CID 90059112
3-[ethyl-(5-nitro-1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 102769799
N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide
CID 155097548
N,N-dimethyl-3-(2-methylpropyl)benzenecarbothioamide
CID 23333039
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
1-[(3-fluorophenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 126601240
N-[3-(dimethylcarbamoyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 29331999

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 168863218) is N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide is CC(C)Cc1cccc(C(=O)N(C)c2ncc([N+](=O)[O-])s2)c1.
What is the InChIKey of N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is HZZVJARIXYLDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10(2)7-11-5-4-6-12(8-11)14(19)17(3)15-16-9-13(22-15)18(20)21/h4-6,8-10H,7H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 168863218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).