N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C16H17N3O2S3 — CID 126852668

IUPACN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C16H17N3O2S3/c1-2-4-10-15(24-19-18-10)16(21)17-9-11(20)12-6-7-14(23-12)13-5-3-8-22-13/h3,5-8,11,20H,2,4,9H2,1H3,(H,17,21)
InChIKeyVTSBMUXGBDPMSV-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.74
Rot. Bonds7

About N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 126852668) has the molecular formula C16H17N3O2S3 and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID126852668
Molecular FormulaC16H17N3O2S3
Molecular Weight379.53 g/mol
Exact Mass379.05
IUPAC NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C16H17N3O2S3/c1-2-4-10-15(24-19-18-10)16(21)17-9-11(20)12-6-7-14(23-12)13-5-3-8-22-13/h3,5-8,11,20H,2,4,9H2,1H3,(H,17,21)
InChIKeyVTSBMUXGBDPMSV-UHFFFAOYSA-N
XLogP3.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 90541792
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 94800227

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 126852668) is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(O)c1ccc(-c2cccs2)s1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is VTSBMUXGBDPMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S3/c1-2-4-10-15(24-19-18-10)16(21)17-9-11(20)12-6-7-14(23-12)13-5-3-8-22-13/h3,5-8,11,20H,2,4,9H2,1H3,(H,17,21).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 126852668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).