3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide

C15H15ClN2OS — CID 154844275

IUPAC3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide
SMILESCc1cc(Cl)cc(C(=O)N[C@H]2CCc3ncsc3C2)c1
InChIInChI=1S/C15H15ClN2OS/c1-9-4-10(6-11(16)5-9)15(19)18-12-2-3-13-14(7-12)20-8-17-13/h4-6,8,12H,2-3,7H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyQFKRYNBJDBLGJE-LBPRGKRZSA-N
MW306.82 g/mol
LogP3.39
Rot. Bonds2

About 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide

3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide (PubChem CID 154844275) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide
PubChem CID154844275
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide
SMILESCc1cc(Cl)cc(C(=O)N[C@H]2CCc3ncsc3C2)c1
InChIInChI=1S/C15H15ClN2OS/c1-9-4-10(6-11(16)5-9)15(19)18-12-2-3-13-14(7-12)20-8-17-13/h4-6,8,12H,2-3,7H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyQFKRYNBJDBLGJE-LBPRGKRZSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide (CID 154844275) is 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide is Cc1cc(Cl)cc(C(=O)N[C@H]2CCc3ncsc3C2)c1.
What is the InChIKey of 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is QFKRYNBJDBLGJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-9-4-10(6-11(16)5-9)15(19)18-12-2-3-13-14(7-12)20-8-17-13/h4-6,8,12H,2-3,7H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide?
3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 154844275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).