N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine

C19H25N3S — CID 171755952

IUPACN,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
SMILESCC1CCC(c2ccc3sc(C4(CN(C)C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H25N3S/c1-13-4-6-15(20-11-13)14-5-7-17-16(10-14)21-18(23-17)19(8-9-19)12-22(2)3/h5,7,10,13H,4,6,8-9,11-12H2,1-3H3
InChIKeyHJZUKGHTHZWGPJ-UHFFFAOYSA-N
MW327.50 g/mol
LogP4.11
Rot. Bonds4

About N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine

N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine (PubChem CID 171755952) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
PubChem CID171755952
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC NameN,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
SMILESCC1CCC(c2ccc3sc(C4(CN(C)C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H25N3S/c1-13-4-6-15(20-11-13)14-5-7-17-16(10-14)21-18(23-17)19(8-9-19)12-22(2)3/h5,7,10,13H,4,6,8-9,11-12H2,1-3H3
InChIKeyHJZUKGHTHZWGPJ-UHFFFAOYSA-N
XLogP4.11
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine (CID 171755952) is N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine is CC1CCC(c2ccc3sc(C4(CN(C)C)CC4)nc3c2)=NC1.
What is the InChIKey of N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine?
The InChIKey is HJZUKGHTHZWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-13-4-6-15(20-11-13)14-5-7-17-16(10-14)21-18(23-17)19(8-9-19)12-22(2)3/h5,7,10,13H,4,6,8-9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine?
N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine has a molecular weight of 327.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 171755952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).