3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide

C12H17N5O2S — CID 103434587

IUPAC3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
SMILESCC(C)Oc1c(NCc2cn[nH]c2)sc(C(N)=O)c1N
InChIInChI=1S/C12H17N5O2S/c1-6(2)19-9-8(13)10(11(14)18)20-12(9)15-3-7-4-16-17-5-7/h4-6,15H,3,13H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyAQTYLEWFRDPAKJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.55
Rot. Bonds6

About 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide

3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103434587) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
PubChem CID103434587
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
SMILESCC(C)Oc1c(NCc2cn[nH]c2)sc(C(N)=O)c1N
InChIInChI=1S/C12H17N5O2S/c1-6(2)19-9-8(13)10(11(14)18)20-12(9)15-3-7-4-16-17-5-7/h4-6,15H,3,13H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyAQTYLEWFRDPAKJ-UHFFFAOYSA-N
XLogP1.55
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
CID 103433645
3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103506863
1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117
ethyl 5-acetyl-4-amino-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxylate
CID 103433771
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide (CID 103434587) is 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide is CC(C)Oc1c(NCc2cn[nH]c2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is AQTYLEWFRDPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-6(2)19-9-8(13)10(11(14)18)20-12(9)15-3-7-4-16-17-5-7/h4-6,15H,3,13H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103434587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).