N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine

C8H7F2N5O2S — CID 122150669

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2cnn(CC(F)F)c2)s1
InChIInChI=1S/C8H7F2N5O2S/c9-6(10)4-14-3-5(1-12-14)13-8-11-2-7(18-8)15(16)17/h1-3,6H,4H2,(H,11,13)
InChIKeyQDECEUSAPRETJH-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 122150669) has the molecular formula C8H7F2N5O2S and a molecular weight of 275.24 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine
PubChem CID122150669
Molecular FormulaC8H7F2N5O2S
Molecular Weight275.24 g/mol
Exact Mass275.03
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2cnn(CC(F)F)c2)s1
InChIInChI=1S/C8H7F2N5O2S/c9-6(10)4-14-3-5(1-12-14)13-8-11-2-7(18-8)15(16)17/h1-3,6H,4H2,(H,11,13)
InChIKeyQDECEUSAPRETJH-UHFFFAOYSA-N
XLogP2.26
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1256222
N-[[1-(2-(18F)fluoroethyl)triazol-4-yl]methyl]-5-nitro-1,3-thiazol-2-amine
CID 71460393
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-5-nitro-1,3-thiazol-2-amine
CID 56950802
4-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 1256469
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383788
4-(4-nitro-1H-pyrazol-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 165479313
5-bromo-N-[2-(4-nitropyrazol-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 166237859
2-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4916121
3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4290265
2-methyl-3-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4776275
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4866449
4-(4-nitro-1H-pyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 5296250

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine (CID 122150669) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine is O=[N+]([O-])c1cnc(Nc2cnn(CC(F)F)c2)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is QDECEUSAPRETJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5O2S/c9-6(10)4-14-3-5(1-12-14)13-8-11-2-7(18-8)15(16)17/h1-3,6H,4H2,(H,11,13).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 275.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 122150669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).