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

C11H18N2OS — CID 65169694

IUPAC4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C2CCCO2)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-9(3)15-11(12-7)13-8(2)10-5-4-6-14-10/h8,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyGKJADCIGYRZATD-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.74
Rot. Bonds3

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

4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65169694) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65169694
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C2CCCO2)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-9(3)15-11(12-7)13-8(2)10-5-4-6-14-10/h8,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyGKJADCIGYRZATD-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601307
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 79376229
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 65168515
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 55591159
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine
CID 82837780
2-ethyl-6-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80994059
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine (CID 65169694) is 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NC(C)C2CCCO2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GKJADCIGYRZATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-9(3)15-11(12-7)13-8(2)10-5-4-6-14-10/h8,10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.74, 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-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65169694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).