N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide

C17H14N4OS2 — CID 71808130

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1nc2ccccc2s1
InChIInChI=1S/C17H14N4OS2/c22-16(17-19-12-4-1-2-5-15(12)24-17)18-8-10-21-9-7-13(20-21)14-6-3-11-23-14/h1-7,9,11H,8,10H2,(H,18,22)
InChIKeyOITLUBKZIIXRJM-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71808130) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71808130
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1nc2ccccc2s1
InChIInChI=1S/C17H14N4OS2/c22-16(17-19-12-4-1-2-5-15(12)24-17)18-8-10-21-9-7-13(20-21)14-6-3-11-23-14/h1-7,9,11H,8,10H2,(H,18,22)
InChIKeyOITLUBKZIIXRJM-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 97417285
N-[4-(3-nitro-1,2,4-triazol-1-yl)butyl]-1,3-benzothiazole-2-carboxamide
CID 118722908
2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
CID 138056651
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide (CID 71808130) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide is O=C(NCCn1ccc(-c2cccs2)n1)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is OITLUBKZIIXRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c22-16(17-19-12-4-1-2-5-15(12)24-17)18-8-10-21-9-7-13(20-21)14-6-3-11-23-14/h1-7,9,11H,8,10H2,(H,18,22).
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71808130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).