5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

C12H21N3OS — CID 63705683

IUPAC5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCOCC2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-9-11(7-13)17-12(14-9)15(2)8-10-3-5-16-6-4-10/h10H,3-8,13H2,1-2H3
InChIKeyVVFRRHLQOJWTAZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.77
Rot. Bonds4

About 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 63705683) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID63705683
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCOCC2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-9-11(7-13)17-12(14-9)15(2)8-10-3-5-16-6-4-10/h10H,3-8,13H2,1-2H3
InChIKeyVVFRRHLQOJWTAZ-UHFFFAOYSA-N
XLogP1.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (CID 63705683) is 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(N(C)CC2CCOCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is VVFRRHLQOJWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-11(7-13)17-12(14-9)15(2)8-10-3-5-16-6-4-10/h10H,3-8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63705683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).