4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H14N4O3S — CID 55798848

IUPAC4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3S/c1-11-15(25-17(20-11)13-7-4-5-9-18-13)16(22)19-10-12-6-2-3-8-14(12)21(23)24/h2-9H,10H2,1H3,(H,19,22)
InChIKeyOXRPSQOVBOOYHZ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55798848) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55798848
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3S/c1-11-15(25-17(20-11)13-7-4-5-9-18-13)16(22)19-10-12-6-2-3-8-14(12)21(23)24/h2-9H,10H2,1H3,(H,19,22)
InChIKeyOXRPSQOVBOOYHZ-UHFFFAOYSA-N
XLogP3.35
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.35
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

4-methyl-N-[(2-nitrophenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 87004969
(2-nitrophenyl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 30177342
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134027846
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25400607

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55798848) is 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OXRPSQOVBOOYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-11-15(25-17(20-11)13-7-4-5-9-18-13)16(22)19-10-12-6-2-3-8-14(12)21(23)24/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55798848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).