N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine

C11H19N3OS — CID 115671381

IUPACN,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNC2CCOCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-14(2)11-13-10(8-16-11)7-12-9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyIAUMUTWGYOFDNP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115671381) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115671381
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNC2CCOCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-14(2)11-13-10(8-16-11)7-12-9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyIAUMUTWGYOFDNP-UHFFFAOYSA-N
XLogP1.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine
CID 115689681
1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 71921285
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383753
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81063717
1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 111964011
N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
CID 115765993
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine
CID 43778482
4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115726275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine (CID 115671381) is N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine is CN(C)c1nc(CNC2CCOCC2)cs1.
What is the InChIKey of N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is IAUMUTWGYOFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14(2)11-13-10(8-16-11)7-12-9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115671381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).