N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide

C14H13N3O3S2 — CID 121018444

IUPACN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C14H13N3O3S2/c1-9-12(22-17-16-9)13(18)15-8-14(19,10-4-5-20-7-10)11-3-2-6-21-11/h2-7,19H,8H2,1H3,(H,15,18)
InChIKeyVJRLOLMPPOFXGN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 121018444) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID121018444
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C14H13N3O3S2/c1-9-12(22-17-16-9)13(18)15-8-14(19,10-4-5-20-7-10)11-3-2-6-21-11/h2-7,19H,8H2,1H3,(H,15,18)
InChIKeyVJRLOLMPPOFXGN-UHFFFAOYSA-N
XLogP2.17
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 129417175
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 124892626

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide (CID 121018444) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(O)(c1ccoc1)c1cccs1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is VJRLOLMPPOFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-9-12(22-17-16-9)13(18)15-8-14(19,10-4-5-20-7-10)11-3-2-6-21-11/h2-7,19H,8H2,1H3,(H,15,18).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 121018444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).