N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide

C11H11N5O3S — CID 47283649

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H11N5O3S/c17-10(5-15-4-3-9(14-15)16(18)19)13-11-12-8(6-20-11)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,13,17)
InChIKeyRDAZLMRXECBLTQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.76
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 47283649) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID47283649
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H11N5O3S/c17-10(5-15-4-3-9(14-15)16(18)19)13-11-12-8(6-20-11)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,13,17)
InChIKeyRDAZLMRXECBLTQ-UHFFFAOYSA-N
XLogP1.76
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.76
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-(3-amino-1,2,4-triazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 54958511
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521562
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 103280278
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 32867306
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 94609543
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (CID 47283649) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is RDAZLMRXECBLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c17-10(5-15-4-3-9(14-15)16(18)19)13-11-12-8(6-20-11)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,13,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 293.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 47283649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).