N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C19H23N5OS — CID 2336006

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@H](C)C2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C19H23N5OS/c1-13-6-5-9-23(11-13)12-18(25)21-17-10-14(2)22-24(17)19-20-15-7-3-4-8-16(15)26-19/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyBDIUWOMOZRGJHE-ZDUSSCGKSA-N
MW369.49 g/mol
LogP3.46
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2336006) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID2336006
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@H](C)C2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C19H23N5OS/c1-13-6-5-9-23(11-13)12-18(25)21-17-10-14(2)22-24(17)19-20-15-7-3-4-8-16(15)26-19/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyBDIUWOMOZRGJHE-ZDUSSCGKSA-N
XLogP3.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-chlorobenzamide
CID 2381036
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9388719
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-bromothiophene-2-carboxamide
CID 27378363
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 2333943
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 41312748
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9377874
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9388707

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 2336006) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCC[C@H](C)C2)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is BDIUWOMOZRGJHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-6-5-9-23(11-13)12-18(25)21-17-10-14(2)22-24(17)19-20-15-7-3-4-8-16(15)26-19/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2336006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).