2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde

C15H12N6O2S2 — CID 161017348

IUPAC2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCn1cc(-c2ncc(C=O)s2)cn1.O=Cc1cnc(-c2cn[nH]c2)s1
InChIInChI=1S/C8H7N3OS.C7H5N3OS/c1-11-4-6(2-10-11)8-9-3-7(5-12)13-8;11-4-6-3-8-7(12-6)5-1-9-10-2-5/h2-5H,1H3;1-4H,(H,9,10)
InChIKeyTXWZPFUPFWMMDA-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.70
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde

2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 161017348) has the molecular formula C15H12N6O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID161017348
Molecular FormulaC15H12N6O2S2
Molecular Weight372.44 g/mol
Exact Mass372.05
IUPAC Name2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCn1cc(-c2ncc(C=O)s2)cn1.O=Cc1cnc(-c2cn[nH]c2)s1
InChIInChI=1S/C8H7N3OS.C7H5N3OS/c1-11-4-6(2-10-11)8-9-3-7(5-12)13-8;11-4-6-3-8-7(12-6)5-1-9-10-2-5/h2-5H,1H3;1-4H,(H,9,10)
InChIKeyTXWZPFUPFWMMDA-UHFFFAOYSA-N
XLogP2.70
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde 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

5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole
CID 175780464
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 130573356
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
CID 146640622
2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
CID 79980973
2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 55035253
2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde
CID 116727319
[5-(1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 55281996
6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
CID 175460538
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde (CID 161017348) is 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde is Cn1cc(-c2ncc(C=O)s2)cn1.O=Cc1cnc(-c2cn[nH]c2)s1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is TXWZPFUPFWMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS.C7H5N3OS/c1-11-4-6(2-10-11)8-9-3-7(5-12)13-8;11-4-6-3-8-7(12-6)5-1-9-10-2-5/h2-5H,1H3;1-4H,(H,9,10).
What are the key properties of 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde?
2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 372.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 161017348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).