N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

C17H23N5OS — CID 86266488

IUPACN-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1
InChIInChI=1S/C17H23N5OS/c1-11-16(24-20-18-11)17(23)22(14-5-3-4-6-14)10-13-9-15(12-7-8-12)21(2)19-13/h9,12,14H,3-8,10H2,1-2H3
InChIKeyKGNUQVGBTGSJSY-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.04
Rot. Bonds5

About N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 86266488) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID86266488
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1
InChIInChI=1S/C17H23N5OS/c1-11-16(24-20-18-11)17(23)22(14-5-3-4-6-14)10-13-9-15(12-7-8-12)21(2)19-13/h9,12,14H,3-8,10H2,1-2H3
InChIKeyKGNUQVGBTGSJSY-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 86266488) is N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is KGNUQVGBTGSJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-16(24-20-18-11)17(23)22(14-5-3-4-6-14)10-13-9-15(12-7-8-12)21(2)19-13/h9,12,14H,3-8,10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 86266488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).