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

C8H10N2OS — CID 28829457

IUPACN-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1coc(CNC2=NCCS2)c1
InChIInChI=1S/C8H10N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10)
InChIKeyKNFHTECZPWVOCW-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.47
Rot. Bonds2

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

N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 28829457) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID28829457
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1coc(CNC2=NCCS2)c1
InChIInChI=1S/C8H10N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10)
InChIKeyKNFHTECZPWVOCW-UHFFFAOYSA-N
XLogP1.47
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.47
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-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 28829457) is N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is c1coc(CNC2=NCCS2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KNFHTECZPWVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 182.25 g/mol, XLogP of 1.47, 2 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-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 28829457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).