N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide

C23H26N4O3S — CID 3219250

IUPACN-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C23H26N4O3S/c1-14-8-10-19(15(2)12-14)27(23(29)18-13-31-26-25-18)21(20-11-9-16(3)30-20)22(28)24-17-6-4-5-7-17/h8-13,17,21H,4-7H2,1-3H3,(H,24,28)
InChIKeyHCNYUDLXLSZJIU-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.50
Rot. Bonds6

About N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219250) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID3219250
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C23H26N4O3S/c1-14-8-10-19(15(2)12-14)27(23(29)18-13-31-26-25-18)21(20-11-9-16(3)30-20)22(28)24-17-6-4-5-7-17/h8-13,17,21H,4-7H2,1-3H3,(H,24,28)
InChIKeyHCNYUDLXLSZJIU-UHFFFAOYSA-N
XLogP4.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-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-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467625
N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221899
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[(1R)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410449
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219264
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide (CID 3219250) is N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c(C)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is HCNYUDLXLSZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-14-8-10-19(15(2)12-14)27(23(29)18-13-31-26-25-18)21(20-11-9-16(3)30-20)22(28)24-17-6-4-5-7-17/h8-13,17,21H,4-7H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).