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

C10H16N4OS2 — CID 103365033

IUPAC2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCSc1c(N)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N4OS2/c1-16-8-9(11)13-17-10(8)12-6-7(15)14-4-2-3-5-14/h12H,2-6H2,1H3,(H2,11,13)
InChIKeyJSBXBUFKDBAGRQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.48
Rot. Bonds4

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

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 103365033) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID103365033
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCSc1c(N)nsc1NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N4OS2/c1-16-8-9(11)13-17-10(8)12-6-7(15)14-4-2-3-5-14/h12H,2-6H2,1H3,(H2,11,13)
InChIKeyJSBXBUFKDBAGRQ-UHFFFAOYSA-N
XLogP1.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406465
4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359986
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362276
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359438
3-amino-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384090
3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384118
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone (CID 103365033) is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone is CSc1c(N)nsc1NCC(=O)N1CCCC1.
What is the InChIKey of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JSBXBUFKDBAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-16-8-9(11)13-17-10(8)12-6-7(15)14-4-2-3-5-14/h12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 272.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103365033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).