3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide

C18H20ClN3O2S — CID 99116236

IUPAC3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide
SMILESCc1nc2c(s1)[C@H](N(C)C(=O)CNC(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C18H20ClN3O2S/c1-11-21-14-7-4-8-15(17(14)25-11)22(2)16(23)10-20-18(24)12-5-3-6-13(19)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyHLQYKVRXWVFQFP-OAHLLOKOSA-N
MW377.90 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide (PubChem CID 99116236) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide
PubChem CID99116236
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide
SMILESCc1nc2c(s1)[C@H](N(C)C(=O)CNC(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C18H20ClN3O2S/c1-11-21-14-7-4-8-15(17(14)25-11)22(2)16(23)10-20-18(24)12-5-3-6-13(19)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyHLQYKVRXWVFQFP-OAHLLOKOSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide (CID 99116236) is 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide is Cc1nc2c(s1)[C@H](N(C)C(=O)CNC(=O)c1cccc(Cl)c1)CCC2.
What is the InChIKey of 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is HLQYKVRXWVFQFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-11-21-14-7-4-8-15(17(14)25-11)22(2)16(23)10-20-18(24)12-5-3-6-13(19)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 377.90 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 99116236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).