5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole

C8H12N2S2 — CID 71637100

IUPAC5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
SMILESc1ncc(CSC2CCNC2)s1
InChIInChI=1S/C8H12N2S2/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2
InChIKeyMHUWNSKVHLUDKE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.74
Rot. Bonds3

About 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole

5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole (PubChem CID 71637100) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
PubChem CID71637100
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
SMILESc1ncc(CSC2CCNC2)s1
InChIInChI=1S/C8H12N2S2/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2
InChIKeyMHUWNSKVHLUDKE-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole (CID 71637100) is 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole is c1ncc(CSC2CCNC2)s1.
What is the InChIKey of 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole?
The InChIKey is MHUWNSKVHLUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-2-9-3-7(1)11-5-8-4-10-6-12-8/h4,6-7,9H,1-3,5H2.
What are the key properties of 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole?
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole has a molecular weight of 200.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 71637100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).