3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide

C14H22N4O2S — CID 103419320

IUPAC3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCN(C)CC2)c(OC)c1N
InChIInChI=1S/C14H22N4O2S/c1-4-5-16-13(19)12-10(15)11(20-3)14(21-12)18-8-6-17(2)7-9-18/h4H,1,5-9,15H2,2-3H3,(H,16,19)
InChIKeyITOSGAGKIHSWTB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.01
Rot. Bonds5

About 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide

3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103419320) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103419320
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCN(C)CC2)c(OC)c1N
InChIInChI=1S/C14H22N4O2S/c1-4-5-16-13(19)12-10(15)11(20-3)14(21-12)18-8-6-17(2)7-9-18/h4H,1,5-9,15H2,2-3H3,(H,16,19)
InChIKeyITOSGAGKIHSWTB-UHFFFAOYSA-N
XLogP1.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417307
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
CID 103420620
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (CID 103419320) is 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N2CCN(C)CC2)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ITOSGAGKIHSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-5-16-13(19)12-10(15)11(20-3)14(21-12)18-8-6-17(2)7-9-18/h4H,1,5-9,15H2,2-3H3,(H,16,19).
What are the key properties of 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103419320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).