2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile

C9H6N2OS — CID 82427290

IUPAC2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccco2)sc1C#N
InChIInChI=1S/C9H6N2OS/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,1H3
InChIKeyXULFZONMRXUDNL-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.58
Rot. Bonds1

About 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile

2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 82427290) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
PubChem CID82427290
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccco2)sc1C#N
InChIInChI=1S/C9H6N2OS/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,1H3
InChIKeyXULFZONMRXUDNL-UHFFFAOYSA-N
XLogP2.58
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82130320
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
5-(bromomethyl)-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82427297
5-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427306
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
1-[2-(furan-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64718148
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
CID 121123926
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile (CID 82427290) is 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile is Cc1nc(-c2ccco2)sc1C#N.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is XULFZONMRXUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c1-6-8(5-10)13-9(11-6)7-3-2-4-12-7/h2-4H,1H3.
What are the key properties of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile?
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82427290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).