2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine

C13H20N2S — CID 115870421

IUPAC2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1CCc2nc(CNC3CC3C)sc2C1
InChIInChI=1S/C13H20N2S/c1-8-3-4-10-12(5-8)16-13(15-10)7-14-11-6-9(11)2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyIUXYIWCEWZTFEF-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine

2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 115870421) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID115870421
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1CCc2nc(CNC3CC3C)sc2C1
InChIInChI=1S/C13H20N2S/c1-8-3-4-10-12(5-8)16-13(15-10)7-14-11-6-9(11)2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyIUXYIWCEWZTFEF-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine with MolForge

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Related Compounds

N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
CID 82066939
6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 130557486
N-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methyl]-3-nitroaniline
CID 97332599
N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 167773767
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]urea
CID 166368105
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 55129618
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 115066893
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
CID 22201662
4-[[[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]oxane-4-carboxamide
CID 99696424
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 129340364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine (CID 115870421) is 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine is CC1CCc2nc(CNC3CC3C)sc2C1.
What is the InChIKey of 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is IUXYIWCEWZTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-3-4-10-12(5-8)16-13(15-10)7-14-11-6-9(11)2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine?
2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115870421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).