4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine

C10H17N3S2 — CID 28782698

IUPAC4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCN1CCCC1
InChIInChI=1S/C10H17N3S2/c1-8-9(15-10(11)12-8)14-7-6-13-4-2-3-5-13/h2-7H2,1H3,(H2,11,12)
InChIKeyITPFQLFPRTZIDE-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 28782698) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID28782698
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCN1CCCC1
InChIInChI=1S/C10H17N3S2/c1-8-9(15-10(11)12-8)14-7-6-13-4-2-3-5-13/h2-7H2,1H3,(H2,11,12)
InChIKeyITPFQLFPRTZIDE-UHFFFAOYSA-N
XLogP2.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine (CID 28782698) is 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCN1CCCC1.
What is the InChIKey of 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is ITPFQLFPRTZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-8-9(15-10(11)12-8)14-7-6-13-4-2-3-5-13/h2-7H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 243.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 28782698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).