N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride

C11H20ClN3OS — CID 115587078

IUPACN,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNCC2CCCO2)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-14(2)11-13-8-10(16-11)7-12-6-9-4-3-5-15-9;/h8-9,12H,3-7H2,1-2H3;1H
InChIKeyZNJWDTINJNZGAG-UHFFFAOYSA-N
MW277.82 g/mol
LogP1.90
Rot. Bonds5

About N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride

N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 115587078) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID115587078
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC NameN,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNCC2CCCO2)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-14(2)11-13-8-10(16-11)7-12-6-9-4-3-5-15-9;/h8-9,12H,3-7H2,1-2H3;1H
InChIKeyZNJWDTINJNZGAG-UHFFFAOYSA-N
XLogP1.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 115587078) is N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride is CN(C)c1ncc(CNCC2CCCO2)s1.Cl.
What is the InChIKey of N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZNJWDTINJNZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.ClH/c1-14(2)11-13-8-10(16-11)7-12-6-9-4-3-5-15-9;/h8-9,12H,3-7H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 115587078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).