3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide

C13H24N4OS — CID 103424880

IUPAC3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
SMILESCC(C)N(CCNc1cc(N)c(C(N)=O)s1)C(C)C
InChIInChI=1S/C13H24N4OS/c1-8(2)17(9(3)4)6-5-16-11-7-10(14)12(19-11)13(15)18/h7-9,16H,5-6,14H2,1-4H3,(H2,15,18)
InChIKeyKQGCASMABKKVSG-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.96
Rot. Bonds7

About 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide

3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide (PubChem CID 103424880) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
PubChem CID103424880
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
SMILESCC(C)N(CCNc1cc(N)c(C(N)=O)s1)C(C)C
InChIInChI=1S/C13H24N4OS/c1-8(2)17(9(3)4)6-5-16-11-7-10(14)12(19-11)13(15)18/h7-9,16H,5-6,14H2,1-4H3,(H2,15,18)
InChIKeyKQGCASMABKKVSG-UHFFFAOYSA-N
XLogP1.96
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophene-2-carboxamide
CID 106262787
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981
1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423875

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide (CID 103424880) is 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide is CC(C)N(CCNc1cc(N)c(C(N)=O)s1)C(C)C.
What is the InChIKey of 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide?
The InChIKey is KQGCASMABKKVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-8(2)17(9(3)4)6-5-16-11-7-10(14)12(19-11)13(15)18/h7-9,16H,5-6,14H2,1-4H3,(H2,15,18).
What are the key properties of 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide?
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103424880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).