2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine

C11H15N3OS — CID 106370731

IUPAC2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
SMILESCc1nc(CNCc2sccc2N)oc1C
InChIInChI=1S/C11H15N3OS/c1-7-8(2)15-11(14-7)6-13-5-10-9(12)3-4-16-10/h3-4,13H,5-6,12H2,1-2H3
InChIKeyNCDCJJQFCBBREI-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.22
Rot. Bonds4

About 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine

2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 106370731) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
PubChem CID106370731
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
SMILESCc1nc(CNCc2sccc2N)oc1C
InChIInChI=1S/C11H15N3OS/c1-7-8(2)15-11(14-7)6-13-5-10-9(12)3-4-16-10/h3-4,13H,5-6,12H2,1-2H3
InChIKeyNCDCJJQFCBBREI-UHFFFAOYSA-N
XLogP2.22
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine (CID 106370731) is 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine is Cc1nc(CNCc2sccc2N)oc1C.
What is the InChIKey of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is NCDCJJQFCBBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-8(2)15-11(14-7)6-13-5-10-9(12)3-4-16-10/h3-4,13H,5-6,12H2,1-2H3.
What are the key properties of 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine?
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 237.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 106370731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).