N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride

C16H23ClN4O2S — CID 146052749

IUPACN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2csnn2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-11-5-7-20(8-6-11)14(15-4-3-12(2)22-15)9-17-16(21)13-10-23-19-18-13;/h3-4,10-11,14H,5-9H2,1-2H3,(H,17,21);1H
InChIKeyHAMLSUHOXUBSQA-UHFFFAOYSA-N
MW370.91 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride (PubChem CID 146052749) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
PubChem CID146052749
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2csnn2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-11-5-7-20(8-6-11)14(15-4-3-12(2)22-15)9-17-16(21)13-10-23-19-18-13;/h3-4,10-11,14H,5-9H2,1-2H3,(H,17,21);1H
InChIKeyHAMLSUHOXUBSQA-UHFFFAOYSA-N
XLogP3.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride 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-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052759
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
5-(4-bromophenyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26835251
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 26834823
6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052750
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26834793
3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 45155399
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride (CID 146052749) is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2csnn2)N2CCC(C)CC2)o1.Cl.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride?
The InChIKey is HAMLSUHOXUBSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-11-5-7-20(8-6-11)14(15-4-3-12(2)22-15)9-17-16(21)13-10-23-19-18-13;/h3-4,10-11,14H,5-9H2,1-2H3,(H,17,21);1H.
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride?
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).