4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole

C12H11N3S3 — CID 2744426

IUPAC4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESCSc1cc(-c2sc(-c3cccs3)nc2C)[nH]n1
InChIInChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15)
InChIKeyQVFLVBFBDVWAJG-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.29
Rot. Bonds3

About 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole

4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2744426) has the molecular formula C12H11N3S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID2744426
Molecular FormulaC12H11N3S3
Molecular Weight293.44 g/mol
Exact Mass293.01
IUPAC Name4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole
SMILESCSc1cc(-c2sc(-c3cccs3)nc2C)[nH]n1
InChIInChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15)
InChIKeyQVFLVBFBDVWAJG-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-Dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole
CID 2370234
4-(5-Chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370271
2,4-Dimethyl-5-(1H-Pyrazol-3-Yl)-1,3-Thiazole
CID 2805447
5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 46889101
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 46889102
5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
CID 162648415
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 28356262
3-methyl-1-[4-(2-thienyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 33676830
2-Ethyl-4-methyl-5-(1H-pyrazol-3-YL)thiazole
CID 162341274
5-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
CID 162647335
2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole
CID 162650294
4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 2820836

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole (CID 2744426) is 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole is CSc1cc(-c2sc(-c3cccs3)nc2C)[nH]n1.
What is the InChIKey of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is QVFLVBFBDVWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole?
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 293.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).