2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C10H15N3OS2 — CID 24703937

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)sc1SCC(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS2/c1-7-9(16-10(11)12-7)15-6-8(14)13-4-2-3-5-13/h2-6H2,1H3,(H2,11,12)
InChIKeyVMHSXWKUKSQATR-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 24703937) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID24703937
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)sc1SCC(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS2/c1-7-9(16-10(11)12-7)15-6-8(14)13-4-2-3-5-13/h2-6H2,1H3,(H2,11,12)
InChIKeyVMHSXWKUKSQATR-UHFFFAOYSA-N
XLogP1.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 24703937) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is Cc1nc(N)sc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VMHSXWKUKSQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-7-9(16-10(11)12-7)15-6-8(14)13-4-2-3-5-13/h2-6H2,1H3,(H2,11,12).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 257.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 24703937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).