5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

C9H10N2OS — CID 686340

IUPAC5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)o1
InChIInChI=1S/C9H10N2OS/c1-6-2-3-7(12-6)4-8-5-11-9(10)13-8/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyPLGBERAULUHQJB-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.22
Rot. Bonds2

About 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 686340) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID686340
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)o1
InChIInChI=1S/C9H10N2OS/c1-6-2-3-7(12-6)4-8-5-11-9(10)13-8/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyPLGBERAULUHQJB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2673021
3-(5-Ethyl-furan-2-yl)-N-thiazol-2-yl-propionamide
CID 652739
3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 705798
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 750965
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 705778
3-(5-methylfuran-2-yl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)propanamide
CID 3253337
N-(5-(4-methoxybenzyl)thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 2984162
N-[5-(2-fluorobenzyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 1095946
3-(5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 705782
N-(5-benzyl-1,3-thiazol-2-yl)-3-(furan-2-yl)propanamide
CID 18132600
3-(5-ethylfuran-2-yl)-N-[5-(2-fluorobenzyl)-1,3-thiazol-2-yl]propanamide
CID 1095945
3-(5-ethylfuran-2-yl)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]propanamide
CID 1096265

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (CID 686340) is 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is Cc1ccc(Cc2cnc(N)s2)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PLGBERAULUHQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-2-3-7(12-6)4-8-5-11-9(10)13-8/h2-3,5H,4H2,1H3,(H2,10,11).
What are the key properties of 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 686340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).