1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C12H16N2OS — CID 115774643

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2occc2C)c(C)s1
InChIInChI=1S/C12H16N2OS/c1-8-4-5-15-12(8)7-13-6-11-9(2)16-10(3)14-11/h4-5,13H,6-7H2,1-3H3
InChIKeyNTXPLKYTOHJISS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 115774643) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID115774643
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2occc2C)c(C)s1
InChIInChI=1S/C12H16N2OS/c1-8-4-5-15-12(8)7-13-6-11-9(2)16-10(3)14-11/h4-5,13H,6-7H2,1-3H3
InChIKeyNTXPLKYTOHJISS-UHFFFAOYSA-N
XLogP2.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 115774643) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is Cc1nc(CNCc2occc2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is NTXPLKYTOHJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-4-5-15-12(8)7-13-6-11-9(2)16-10(3)14-11/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115774643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).