1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol

C19H25N3OS — CID 169114291

IUPAC1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol
SMILESC[C@H]1CCC(c2ccc3sc(C4(O)CCN(C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H25N3OS/c1-13-3-5-15(20-12-13)14-4-6-17-16(11-14)21-18(24-17)19(23)7-9-22(2)10-8-19/h4,6,11,13,23H,3,5,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNDMSKBAEGHWKJO-ZDUSSCGKSA-N
MW343.50 g/mol
LogP3.43
Rot. Bonds2

About 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol

1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol (PubChem CID 169114291) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol
PubChem CID169114291
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol
SMILESC[C@H]1CCC(c2ccc3sc(C4(O)CCN(C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H25N3OS/c1-13-3-5-15(20-12-13)14-4-6-17-16(11-14)21-18(24-17)19(23)7-9-22(2)10-8-19/h4,6,11,13,23H,3,5,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNDMSKBAEGHWKJO-ZDUSSCGKSA-N
XLogP3.43
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol (CID 169114291) is 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol is C[C@H]1CCC(c2ccc3sc(C4(O)CCN(C)CC4)nc3c2)=NC1.
What is the InChIKey of 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol?
The InChIKey is NDMSKBAEGHWKJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-3-5-15(20-12-13)14-4-6-17-16(11-14)21-18(24-17)19(23)7-9-22(2)10-8-19/h4,6,11,13,23H,3,5,7-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol?
1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol has a molecular weight of 343.50 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 169114291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).