N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

C10H12N2OS — CID 9167847

IUPACN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1C
InChIInChI=1S/C10H12N2OS/c1-7-8(2)14-10(12-7)11-6-9-4-3-5-13-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyQNXAXBLJLNPOET-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.97
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 9167847) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID9167847
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccco2)sc1C
InChIInChI=1S/C10H12N2OS/c1-7-8(2)14-10(12-7)11-6-9-4-3-5-13-9/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyQNXAXBLJLNPOET-UHFFFAOYSA-N
XLogP2.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 9167847) is N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCc2ccco2)sc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QNXAXBLJLNPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-8(2)14-10(12-7)11-6-9-4-3-5-13-9/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 9167847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).