1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C9H10N2OS — CID 61223186

IUPAC1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2cscn2)co1
InChIInChI=1S/C9H10N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h1-2,5-7,10H,3-4H2
InChIKeyADYWFXLSNWHORV-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.03
Rot. Bonds4

About 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 61223186) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID61223186
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2cscn2)co1
InChIInChI=1S/C9H10N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h1-2,5-7,10H,3-4H2
InChIKeyADYWFXLSNWHORV-UHFFFAOYSA-N
XLogP2.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 60697172
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106936882
1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 103992217
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 61223186) is 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is c1cc(CNCc2cscn2)co1.
What is the InChIKey of 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is ADYWFXLSNWHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h1-2,5-7,10H,3-4H2.
What are the key properties of 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61223186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).