1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one

C14H20N4OS2 — CID 103507965

IUPAC1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCSc1c(NCCn2cccn2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C14H20N4OS2/c1-9(2)11(19)12-10(15)13(20-3)14(21-12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3
InChIKeyPRVHIFZDDPWYAM-UHFFFAOYSA-N
MW324.48 g/mol
LogP3.20
Rot. Bonds7

About 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103507965) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103507965
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCSc1c(NCCn2cccn2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C14H20N4OS2/c1-9(2)11(19)12-10(15)13(20-3)14(21-12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3
InChIKeyPRVHIFZDDPWYAM-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

methyl 3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103507973
1-[3-amino-4-methylsulfanyl-5-(pentylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425378
1-[3-amino-5-(3-ethoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103426380
1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
CID 103507970
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
1-[3-amino-4-methylsulfanyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 106413043
5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
CID 103507969
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103525936
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103507965) is 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one is CSc1c(NCCn2cccn2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is PRVHIFZDDPWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9(2)11(19)12-10(15)13(20-3)14(21-12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3.
What are the key properties of 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 324.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103507965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).