4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine

C12H20N2OS — CID 103768449

IUPAC4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C2CCOCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-10(3)16-12(13-8)14-9(2)11-4-6-15-7-5-11/h9,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyYFRWTQQWFVYNSU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.99
Rot. Bonds3

About 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 103768449) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID103768449
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C2CCOCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-10(3)16-12(13-8)14-9(2)11-4-6-15-7-5-11/h9,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyYFRWTQQWFVYNSU-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
methyl 4-chloro-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 103768475
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
3-methyl-5-[1-(oxan-4-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 114115350
N-(4-hydroxycyclohexyl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
CID 161208308
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366228
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 65168515
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 159402664
2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
CID 115916403
N-(3,3-dimethylpiperidin-4-yl)-2-methyl-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
CID 158052002
N-(2,6-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
CID 145359530

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine (CID 103768449) is 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NC(C)C2CCOCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is YFRWTQQWFVYNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-10(3)16-12(13-8)14-9(2)11-4-6-15-7-5-11/h9,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103768449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).