[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C16H21N3OS — CID 79396964

IUPAC[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCN(C)c3ccccc32)sc1CO
InChIInChI=1S/C16H21N3OS/c1-11(2)15-14(10-20)21-16(17-15)19-9-8-18(3)12-6-4-5-7-13(12)19/h4-7,11,20H,8-10H2,1-3H3
InChIKeyVJUJFUFRRHVQAY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds3

About [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79396964) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79396964
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCN(C)c3ccccc32)sc1CO
InChIInChI=1S/C16H21N3OS/c1-11(2)15-14(10-20)21-16(17-15)19-9-8-18(3)12-6-4-5-7-13(12)19/h4-7,11,20H,8-10H2,1-3H3
InChIKeyVJUJFUFRRHVQAY-UHFFFAOYSA-N
XLogP3.35
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916854
1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol
CID 63777540
1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63776455
[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434317
N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64543382
N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63777173
[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400188
[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]methanol
CID 63776596
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433632
[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396966
1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
CID 107083737
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79398960

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79396964) is [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N2CCN(C)c3ccccc32)sc1CO.
What is the InChIKey of [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is VJUJFUFRRHVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)15-14(10-20)21-16(17-15)19-9-8-18(3)12-6-4-5-7-13(12)19/h4-7,11,20H,8-10H2,1-3H3.
What are the key properties of [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 303.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79396964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).