1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol

C12H20N2O2S — CID 82754565

IUPAC1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)C2CCOC2C)sc1C(C)O
InChIInChI=1S/C12H20N2O2S/c1-7-11(8(2)15)17-12(13-7)14(4)10-5-6-16-9(10)3/h8-10,15H,5-6H2,1-4H3
InChIKeyRDYVUGPNDPDWGA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 82754565) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID82754565
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)C2CCOC2C)sc1C(C)O
InChIInChI=1S/C12H20N2O2S/c1-7-11(8(2)15)17-12(13-7)14(4)10-5-6-16-9(10)3/h8-10,15H,5-6H2,1-4H3
InChIKeyRDYVUGPNDPDWGA-UHFFFAOYSA-N
XLogP2.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63707531
5-(aminomethyl)-4-butan-2-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754568
2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 82754742
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 82734715
methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 82747995
4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 82753674
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3-benzothiazole-2,6-diamine
CID 82741392

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 82754565) is 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)C2CCOC2C)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is RDYVUGPNDPDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7-11(8(2)15)17-12(13-7)14(4)10-5-6-16-9(10)3/h8-10,15H,5-6H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 256.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 82754565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).