3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide

C14H23N3O2S — CID 103423115

IUPAC3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h8-9,16H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyWGEGKCCAQSVWNF-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.83
Rot. Bonds7

About 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide (PubChem CID 103423115) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
PubChem CID103423115
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h8-9,16H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyWGEGKCCAQSVWNF-UHFFFAOYSA-N
XLogP2.83
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide (CID 103423115) is 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide is CCCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide?
The InChIKey is WGEGKCCAQSVWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h8-9,16H,4-7,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103423115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).