3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide

C12H19N3O3S — CID 103508706

IUPAC3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCCO2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-17-9-8(13)10(11(14)16)19-12(9)15-6-7-4-2-3-5-18-7/h7,15H,2-6,13H2,1H3,(H2,14,16)
InChIKeyXTPIUVCONCGULB-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide

3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103508706) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
PubChem CID103508706
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
SMILESCOc1c(NCC2CCCCO2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-17-9-8(13)10(11(14)16)19-12(9)15-6-7-4-2-3-5-18-7/h7,15H,2-6,13H2,1H3,(H2,14,16)
InChIKeyXTPIUVCONCGULB-UHFFFAOYSA-N
XLogP1.42
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
3-amino-4-methoxy-N,N-dimethyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508693
3-amino-4-methoxy-N,N-dimethyl-5-(oxolan-2-ylmethylamino)thiophene-2-carboxamide
CID 103426510
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80571068
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide (CID 103508706) is 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide is COc1c(NCC2CCCCO2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is XTPIUVCONCGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-17-9-8(13)10(11(14)16)19-12(9)15-6-7-4-2-3-5-18-7/h7,15H,2-6,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103508706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).