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

C13H13N3S2 — CID 46889101

IUPAC5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCCc1cc(-c2sc(-c3cccs3)nc2C)n[nH]1
InChIInChI=1S/C13H13N3S2/c1-3-9-7-10(16-15-9)12-8(2)14-13(18-12)11-5-4-6-17-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDRJWBFAVPFDDFF-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.13
Rot. Bonds3

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

5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 46889101) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID46889101
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCCc1cc(-c2sc(-c3cccs3)nc2C)n[nH]1
InChIInChI=1S/C13H13N3S2/c1-3-9-7-10(16-15-9)12-8(2)14-13(18-12)11-5-4-6-17-11/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyDRJWBFAVPFDDFF-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-[3-(Methylsulfanyl)-1h-Pyrazol-5-Yl]-2-Thiophen-2-Yl-1,3-Thiazole
CID 2744426
2-[2-(3,5-Dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole
CID 2370234
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
2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162667454
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 28356262
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
2,4-dimethyl-5-[5-(3-phenylpropyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162677390
4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 2820836
2-(5-Methyl-1H-pyrazol-3-yl)benzo[d]thiazole
CID 3027589
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-1,3-benzothiazole
CID 2747018

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole (CID 46889101) is 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole is CCc1cc(-c2sc(-c3cccs3)nc2C)n[nH]1.
What is the InChIKey of 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is DRJWBFAVPFDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-3-9-7-10(16-15-9)12-8(2)14-13(18-12)11-5-4-6-17-11/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole?
5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 275.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 46889101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).