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

C13H13N3S3 — CID 2820836

IUPAC4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole
SMILESCSc1sc(-c2nc(C)cs2)c(C)c1-c1ccn[nH]1
InChIInChI=1S/C13H13N3S3/c1-7-6-18-12(15-7)11-8(2)10(13(17-3)19-11)9-4-5-14-16-9/h4-6H,1-3H3,(H,14,16)
InChIKeyFTRDAOYAMPAHSD-UHFFFAOYSA-N
MW307.47 g/mol
LogP4.60
Rot. Bonds3

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

4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole (PubChem CID 2820836) has the molecular formula C13H13N3S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole
PubChem CID2820836
Molecular FormulaC13H13N3S3
Molecular Weight307.47 g/mol
Exact Mass307.03
IUPAC Name4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole
SMILESCSc1sc(-c2nc(C)cs2)c(C)c1-c1ccn[nH]1
InChIInChI=1S/C13H13N3S3/c1-7-6-18-12(15-7)11-8(2)10(13(17-3)19-11)9-4-5-14-16-9/h4-6H,1-3H3,(H,14,16)
InChIKeyFTRDAOYAMPAHSD-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole (CID 2820836) is 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole is CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccn[nH]1.
What is the InChIKey of 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole?
The InChIKey is FTRDAOYAMPAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S3/c1-7-6-18-12(15-7)11-8(2)10(13(17-3)19-11)9-4-5-14-16-9/h4-6H,1-3H3,(H,14,16).
What are the key properties of 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole?
4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole has a molecular weight of 307.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-methyl-5-methylsulfanyl-4-(1H-pyrazol-5-yl)thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 2820836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).