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

C14H22N2S — CID 55129618

IUPACN-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)C1CCc2nc(CNC3CC3)sc2C1
InChIInChI=1S/C14H22N2S/c1-9(2)10-3-6-12-13(7-10)17-14(16-12)8-15-11-4-5-11/h9-11,15H,3-8H2,1-2H3
InChIKeyPTYNEJPIMOTRMC-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.16
Rot. Bonds4

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

N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine (PubChem CID 55129618) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
PubChem CID55129618
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)C1CCc2nc(CNC3CC3)sc2C1
InChIInChI=1S/C14H22N2S/c1-9(2)10-3-6-12-13(7-10)17-14(16-12)8-15-11-4-5-11/h9-11,15H,3-8H2,1-2H3
InChIKeyPTYNEJPIMOTRMC-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine (CID 55129618) is N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine is CC(C)C1CCc2nc(CNC3CC3)sc2C1.
What is the InChIKey of N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is PTYNEJPIMOTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(2)10-3-6-12-13(7-10)17-14(16-12)8-15-11-4-5-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine?
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 250.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55129618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).