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

C10H16N2OS2 — CID 62779519

IUPAC[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCCSCC2)sc1CO
InChIInChI=1S/C10H16N2OS2/c1-8-9(7-13)15-10(11-8)12-3-2-5-14-6-4-12/h13H,2-7H2,1H3
InChIKeyPUKATGOKZZSCNE-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.89
Rot. Bonds2

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

[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62779519) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62779519
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCCSCC2)sc1CO
InChIInChI=1S/C10H16N2OS2/c1-8-9(7-13)15-10(11-8)12-3-2-5-14-6-4-12/h13H,2-7H2,1H3
InChIKeyPUKATGOKZZSCNE-UHFFFAOYSA-N
XLogP1.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62769315
N-[[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767244
N-methyl-1-(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 62766044
(4-ethyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanol
CID 62778641
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117381
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62766049
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 63979536
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazepane
CID 130619166

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol (CID 62779519) is [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol is Cc1nc(N2CCCSCC2)sc1CO.
What is the InChIKey of [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PUKATGOKZZSCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-8-9(7-13)15-10(11-8)12-3-2-5-14-6-4-12/h13H,2-7H2,1H3.
What are the key properties of [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol?
[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 244.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62779519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).