4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine

C14H18N2OS — CID 79146165

IUPAC4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC3CCCCO3)nc12
InChIInChI=1S/C14H18N2OS/c1-10-5-4-7-12-13(10)16-14(18-12)15-9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,16)
InChIKeyPNXAGJYHKBTBAP-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine

4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 79146165) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID79146165
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC3CCCCO3)nc12
InChIInChI=1S/C14H18N2OS/c1-10-5-4-7-12-13(10)16-14(18-12)15-9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,16)
InChIKeyPNXAGJYHKBTBAP-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
4-methyl-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83018744
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 79146165) is 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCC3CCCCO3)nc12.
What is the InChIKey of 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is PNXAGJYHKBTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-5-4-7-12-13(10)16-14(18-12)15-9-11-6-2-3-8-17-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).