3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide

C14H21N3O2S — CID 103423672

IUPAC3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)Oc1c(NC2CC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O2S/c1-7(2)19-11-10(15)12(13(18)16-8-3-4-8)20-14(11)17-9-5-6-9/h7-9,17H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyHTJBAVPZBOHKLK-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.58
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103423672) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103423672
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)Oc1c(NC2CC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O2S/c1-7(2)19-11-10(15)12(13(18)16-8-3-4-8)20-14(11)17-9-5-6-9/h7-9,17H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyHTJBAVPZBOHKLK-UHFFFAOYSA-N
XLogP2.58
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
CID 103510092
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103525562
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 11551836
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide (CID 103423672) is 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide is CC(C)Oc1c(NC2CC2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is HTJBAVPZBOHKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-7(2)19-11-10(15)12(13(18)16-8-3-4-8)20-14(11)17-9-5-6-9/h7-9,17H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103423672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).