[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C17H30N2OS — CID 79396966

IUPAC[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCCC(C(C)(C)C)CC2)sc1CO
InChIInChI=1S/C17H30N2OS/c1-12(2)15-14(11-20)21-16(18-15)19-9-6-7-13(8-10-19)17(3,4)5/h12-13,20H,6-11H2,1-5H3
InChIKeyIUTVJZSTGKDEGR-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.41
Rot. Bonds3

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

[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79396966) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79396966
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCCC(C(C)(C)C)CC2)sc1CO
InChIInChI=1S/C17H30N2OS/c1-12(2)15-14(11-20)21-16(18-15)19-9-6-7-13(8-10-19)17(3,4)5/h12-13,20H,6-11H2,1-5H3
InChIKeyIUTVJZSTGKDEGR-UHFFFAOYSA-N
XLogP4.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692510
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400188
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381277
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396952
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435654
2-(4-tert-butylazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64978094
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79398960
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79396966) is [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N2CCCC(C(C)(C)C)CC2)sc1CO.
What is the InChIKey of [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is IUTVJZSTGKDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-12(2)15-14(11-20)21-16(18-15)19-9-6-7-13(8-10-19)17(3,4)5/h12-13,20H,6-11H2,1-5H3.
What are the key properties of [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 310.51 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79396966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).