N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

C10H16N2OS — CID 43183522

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1nc(CNCC2CCCO2)cs1
InChIInChI=1S/C10H16N2OS/c1-8-12-9(7-14-8)5-11-6-10-3-2-4-13-10/h7,10-11H,2-6H2,1H3
InChIKeyXWWWHVIHCWUHKF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.72
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43183522) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43183522
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1nc(CNCC2CCCO2)cs1
InChIInChI=1S/C10H16N2OS/c1-8-12-9(7-14-8)5-11-6-10-3-2-4-13-10/h7,10-11H,2-6H2,1H3
InChIKeyXWWWHVIHCWUHKF-UHFFFAOYSA-N
XLogP1.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 43183522) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1nc(CNCC2CCCO2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XWWWHVIHCWUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-12-9(7-14-8)5-11-6-10-3-2-4-13-10/h7,10-11H,2-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43183522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).