N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

C17H19N5OS2 — CID 71797450

IUPACN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C17H19N5OS2/c1-11-16(25-21-19-11)17(23)18-10-12-9-14(15-7-4-8-24-15)22(20-12)13-5-2-3-6-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,18,23)
InChIKeyKZYFOJGJYUTFIC-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.82
Rot. Bonds5

About N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 71797450) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID71797450
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C17H19N5OS2/c1-11-16(25-21-19-11)17(23)18-10-12-9-14(15-7-4-8-24-15)22(20-12)13-5-2-3-6-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,18,23)
InChIKeyKZYFOJGJYUTFIC-UHFFFAOYSA-N
XLogP3.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
CID 71797383
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797459
(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97104827
4-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 90569617
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
(E)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797562
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 71797450) is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is KZYFOJGJYUTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-11-16(25-21-19-11)17(23)18-10-12-9-14(15-7-4-8-24-15)22(20-12)13-5-2-3-6-13/h4,7-9,13H,2-3,5-6,10H2,1H3,(H,18,23).
What are the key properties of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71797450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).