4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

Name: 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₈N₄O₂S — CID 103508217

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

SMILESCCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC

InChIInChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17)

InChIKeyUTWLEFBZJRVWKL-UHFFFAOYSA-N

MW282.37 g/mol

LogP1.40

Rot. Bonds6

About 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (PubChem CID 103508217) has the molecular formula C₁₂H₁₈N₄O₂S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name	4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
PubChem CID	103508217
Molecular Formula	C₁₂H₁₈N₄O₂S
Molecular Weight	282.37 g/mol
Exact Mass	282.12
IUPAC Name	4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
SMILES	CCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC
InChI	InChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKey	UTWLEFBZJRVWKL-UHFFFAOYSA-N
XLogP	1.40
TPSA	100.17 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.37
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?

The IUPAC name of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (CID 103508217) is 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.

What is the SMILES notation for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?

The canonical SMILES for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is CCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC.

What is the InChIKey of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?

The InChIKey is UTWLEFBZJRVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17).

What are the key properties of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?

4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103508217 — identifiers, structure, computed properties (public domain)

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