3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide

C13H15N5O2S — CID 47000856

IUPAC3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sc(NC(C)C)c(C#N)c2N)no1
InChIInChI=1S/C13H15N5O2S/c1-6(2)16-13-8(5-14)10(15)11(21-13)12(19)17-9-4-7(3)20-18-9/h4,6,16H,15H2,1-3H3,(H,17,18,19)
InChIKeyOXFQRQSTEGREBR-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide

3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide (PubChem CID 47000856) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide
PubChem CID47000856
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sc(NC(C)C)c(C#N)c2N)no1
InChIInChI=1S/C13H15N5O2S/c1-6(2)16-13-8(5-14)10(15)11(21-13)12(19)17-9-4-7(3)20-18-9/h4,6,16H,15H2,1-3H3,(H,17,18,19)
InChIKeyOXFQRQSTEGREBR-UHFFFAOYSA-N
XLogP2.57
TPSA116.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide (CID 47000856) is 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide is Cc1cc(NC(=O)c2sc(NC(C)C)c(C#N)c2N)no1.
What is the InChIKey of 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide?
The InChIKey is OXFQRQSTEGREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-6(2)16-13-8(5-14)10(15)11(21-13)12(19)17-9-4-7(3)20-18-9/h4,6,16H,15H2,1-3H3,(H,17,18,19).
What are the key properties of 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide?
3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 47000856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).