N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

C9H10N2OS — CID 115924599

IUPACN-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccoc1CNc1nccs1
InChIInChI=1S/C9H10N2OS/c1-7-2-4-12-8(7)6-11-9-10-3-5-13-9/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAWQDAGDXSGDTLW-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.66
Rot. Bonds3

About N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 115924599) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID115924599
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccoc1CNc1nccs1
InChIInChI=1S/C9H10N2OS/c1-7-2-4-12-8(7)6-11-9-10-3-5-13-9/h2-5H,6H2,1H3,(H,10,11)
InChIKeyAWQDAGDXSGDTLW-UHFFFAOYSA-N
XLogP2.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (CID 115924599) is N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is Cc1ccoc1CNc1nccs1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AWQDAGDXSGDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7-2-4-12-8(7)6-11-9-10-3-5-13-9/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115924599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).