[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine

C9H10N2OS — CID 7131884

IUPAC[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine
SMILESCc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C9H10N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h2-3,5H,4,10H2,1H3
InChIKeyKYUQAHJPQLLHQR-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.17
Rot. Bonds2

About [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine

[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine (PubChem CID 7131884) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine
PubChem CID7131884
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine
SMILESCc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C9H10N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h2-3,5H,4,10H2,1H3
InChIKeyKYUQAHJPQLLHQR-UHFFFAOYSA-N
XLogP2.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine (CID 7131884) is [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine is Cc1nc(-c2ccc(CN)o2)cs1.
What is the InChIKey of [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine?
The InChIKey is KYUQAHJPQLLHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h2-3,5H,4,10H2,1H3.
What are the key properties of [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine?
[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 7131884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).