N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C15H10N6O3S — CID 167919937

IUPACN-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1)c1csc2nccn12
InChIInChI=1S/C15H10N6O3S/c22-14(12-8-25-15-16-5-6-20(12)15)18-13-11(7-17-19-13)9-1-3-10(4-2-9)21(23)24/h1-8H,(H2,17,18,19,22)
InChIKeyLMVUKKDYVMNSIG-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 167919937) has the molecular formula C15H10N6O3S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID167919937
Molecular FormulaC15H10N6O3S
Molecular Weight354.35 g/mol
Exact Mass354.05
IUPAC NameN-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1)c1csc2nccn12
InChIInChI=1S/C15H10N6O3S/c22-14(12-8-25-15-16-5-6-20(12)15)18-13-11(7-17-19-13)9-1-3-10(4-2-9)21(23)24/h1-8H,(H2,17,18,19,22)
InChIKeyLMVUKKDYVMNSIG-UHFFFAOYSA-N
XLogP2.95
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.95
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'}

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Related Compounds

4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
N-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110864082
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
2-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 20850051
trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
CID 71489515
4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941
5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824185
4-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76849006
[5-(4-nitrophenyl)-1H-pyrazol-4-yl] acetate
CID 91540328
2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 167838088
N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 167919937) is N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1)c1csc2nccn12.
What is the InChIKey of N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is LMVUKKDYVMNSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O3S/c22-14(12-8-25-15-16-5-6-20(12)15)18-13-11(7-17-19-13)9-1-3-10(4-2-9)21(23)24/h1-8H,(H2,17,18,19,22).
What are the key properties of N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 354.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 167919937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).