N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

C17H18N4OS — CID 118780211

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N4OS/c1-10-15(16(21-20-10)11-6-7-11)17(22)18-9-8-14-19-12-4-2-3-5-13(12)23-14/h2-5,11H,6-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyANLBOPBLFQXXTI-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118780211) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID118780211
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C2CC2)c1C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N4OS/c1-10-15(16(21-20-10)11-6-7-11)17(22)18-9-8-14-19-12-4-2-3-5-13(12)23-14/h2-5,11H,6-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyANLBOPBLFQXXTI-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172657373
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide (CID 118780211) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C2CC2)c1C(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ANLBOPBLFQXXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-15(16(21-20-10)11-6-7-11)17(22)18-9-8-14-19-12-4-2-3-5-13(12)23-14/h2-5,11H,6-9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118780211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).