N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine

C13H23N3OS — CID 43778486

IUPACN,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-16(4-2)13-15-10-12(18-13)9-14-11-5-7-17-8-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyXFEXSVIJWCLWHE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds6

About N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43778486) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43778486
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-16(4-2)13-15-10-12(18-13)9-14-11-5-7-17-8-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyXFEXSVIJWCLWHE-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
5-[[(2,3-dimethylcyclopentyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 64907380
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83010249

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine (CID 43778486) is N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC2CCOCC2)s1.
What is the InChIKey of N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XFEXSVIJWCLWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-16(4-2)13-15-10-12(18-13)9-14-11-5-7-17-8-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43778486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).