[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol

C14H19N3OS — CID 43450601

IUPAC[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol
SMILESCc1nc2cc(N3CCC(CO)CC3)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-7-13(11(15)6-14(12)19-9)17-4-2-10(8-18)3-5-17/h6-7,10,18H,2-5,8,15H2,1H3
InChIKeyCDVWJLFWNSKWEH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.40
Rot. Bonds2

About [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol

[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol (PubChem CID 43450601) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol
PubChem CID43450601
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol
SMILESCc1nc2cc(N3CCC(CO)CC3)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-7-13(11(15)6-14(12)19-9)17-4-2-10(8-18)3-5-17/h6-7,10,18H,2-5,8,15H2,1H3
InChIKeyCDVWJLFWNSKWEH-UHFFFAOYSA-N
XLogP2.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol (CID 43450601) is [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol is Cc1nc2cc(N3CCC(CO)CC3)c(N)cc2s1.
What is the InChIKey of [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol?
The InChIKey is CDVWJLFWNSKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-16-12-7-13(11(15)6-14(12)19-9)17-4-2-10(8-18)3-5-17/h6-7,10,18H,2-5,8,15H2,1H3.
What are the key properties of [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol?
[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 43450601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).