N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H12F3N5O3S — CID 141373212

IUPACN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O3S/c1-5(2)12-20-9(13(14,15)16)8(25-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22)
InChIKeyMEWXIUYVQDUKOH-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.42
Rot. Bonds4

About N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373212) has the molecular formula C13H12F3N5O3S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID141373212
Molecular FormulaC13H12F3N5O3S
Molecular Weight375.33 g/mol
Exact Mass375.06
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1
InChIInChI=1S/C13H12F3N5O3S/c1-5(2)12-20-9(13(14,15)16)8(25-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22)
InChIKeyMEWXIUYVQDUKOH-UHFFFAOYSA-N
XLogP3.42
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373176
N-(6-methoxy-5-nitro-2-pyridinyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373202
N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 141373198
N-(6-cyclohexyl-5-nitro-2-pyridinyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373233
2-methyl-N-(6-methyl-3-nitro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373222
N-(6-methoxy-3-nitro-2-pyridinyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373213
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
4-[(6-amino-5-nitro-2-pyridinyl)amino]benzoic acid
CID 79826488

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373212) is N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)c1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(N)n2)s1.
What is the InChIKey of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MEWXIUYVQDUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3S/c1-5(2)12-20-9(13(14,15)16)8(25-12)11(22)19-7-4-3-6(21(23)24)10(17)18-7/h3-5H,1-2H3,(H3,17,18,19,22).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).