3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide

C14H21N3O2S — CID 103509949

IUPAC3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
SMILESCOC1CCCC1Nc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C14H21N3O2S/c1-19-9-4-2-3-8(9)17-14-10(7-5-6-7)11(15)12(20-14)13(16)18/h7-9,17H,2-6,15H2,1H3,(H2,16,18)
InChIKeyGDVUZNVCCFEJCT-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide (PubChem CID 103509949) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
PubChem CID103509949
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
SMILESCOC1CCCC1Nc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C14H21N3O2S/c1-19-9-4-2-3-8(9)17-14-10(7-5-6-7)11(15)12(20-14)13(16)18/h7-9,17H,2-6,15H2,1H3,(H2,16,18)
InChIKeyGDVUZNVCCFEJCT-UHFFFAOYSA-N
XLogP2.29
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide (CID 103509949) is 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide is COC1CCCC1Nc1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide?
The InChIKey is GDVUZNVCCFEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-9-4-2-3-8(9)17-14-10(7-5-6-7)11(15)12(20-14)13(16)18/h7-9,17H,2-6,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103509949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).