N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide

C23H24N4O2S — CID 52817572

IUPACN-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1
InChIInChI=1S/C23H24N4O2S/c1-2-5-15-9-10-19-20(12-15)30-23(26-19)27-21(28)16-6-3-8-18(13-16)25-22(29)17-7-4-11-24-14-17/h3-4,6-8,11,13-15H,2,5,9-10,12H2,1H3,(H,25,29)(H,26,27,28)/t15-/m1/s1
InChIKeyMYAVNKZCLGHSAQ-OAHLLOKOSA-N
MW420.54 g/mol
LogP4.95
Rot. Bonds6

About N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 52817572) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID52817572
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1
InChIInChI=1S/C23H24N4O2S/c1-2-5-15-9-10-19-20(12-15)30-23(26-19)27-21(28)16-6-3-8-18(13-16)25-22(29)17-7-4-11-24-14-17/h3-4,6-8,11,13-15H,2,5,9-10,12H2,1H3,(H,25,29)(H,26,27,28)/t15-/m1/s1
InChIKeyMYAVNKZCLGHSAQ-OAHLLOKOSA-N
XLogP4.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[[(S)-methylsulfinyl]methyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 97027434
trans-(1S,2S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97098157
N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide
CID 123155195
3-butoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 17011098
2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60610265
2-[(3-bromophenyl)methylsulfonyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 52817496
3-ethylsulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43981130
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
N-(3-cyanophenyl)-2-[3-[(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide
CID 123451481
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 52817572) is N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide is CCC[C@@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1.
What is the InChIKey of N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MYAVNKZCLGHSAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-5-15-9-10-19-20(12-15)30-23(26-19)27-21(28)16-6-3-8-18(13-16)25-22(29)17-7-4-11-24-14-17/h3-4,6-8,11,13-15H,2,5,9-10,12H2,1H3,(H,25,29)(H,26,27,28)/t15-/m1/s1.
What are the key properties of N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52817572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).