N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide

C19H17N5OS — CID 71802160

IUPACN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17N5OS/c25-18(15-4-6-17(7-5-15)23-11-1-2-12-23)20-10-8-16-14-26-19(22-16)24-13-3-9-21-24/h1-7,9,11-14H,8,10H2,(H,20,25)
InChIKeyFMOITGQPBCUACX-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 71802160) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID71802160
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17N5OS/c25-18(15-4-6-17(7-5-15)23-11-1-2-12-23)20-10-8-16-14-26-19(22-16)24-13-3-9-21-24/h1-7,9,11-14H,8,10H2,(H,20,25)
InChIKeyFMOITGQPBCUACX-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10369377
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-pyrazol-1-ylbenzamide
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CID 58532021
2-[5-methyl-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049629
US9550778, chem-us-00216
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1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
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N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767
5-(1-(2-(4-(1H-imidazol-1-yl)benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide (CID 71802160) is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide is O=C(NCCc1csc(-n2cccn2)n1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is FMOITGQPBCUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c25-18(15-4-6-17(7-5-15)23-11-1-2-12-23)20-10-8-16-14-26-19(22-16)24-13-3-9-21-24/h1-7,9,11-14H,8,10H2,(H,20,25).
What are the key properties of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 363.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 71802160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).