N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C11H9N3O2S — CID 14624271

IUPACN-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C#N)c1ccco1
InChIInChI=1S/C11H9N3O2S/c1-7-10(17-6-13-7)11(15)14-8(5-12)9-3-2-4-16-9/h2-4,6,8H,1H3,(H,14,15)
InChIKeyHGHKNTOUQMVMKE-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.04
Rot. Bonds3

About N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 14624271) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID14624271
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C#N)c1ccco1
InChIInChI=1S/C11H9N3O2S/c1-7-10(17-6-13-7)11(15)14-8(5-12)9-3-2-4-16-9/h2-4,6,8H,1H3,(H,14,15)
InChIKeyHGHKNTOUQMVMKE-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 14624271) is N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C#N)c1ccco1.
What is the InChIKey of N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HGHKNTOUQMVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7-10(17-6-13-7)11(15)14-8(5-12)9-3-2-4-16-9/h2-4,6,8H,1H3,(H,14,15).
What are the key properties of N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 14624271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).