N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide

C18H17ClN4O3S — CID 46354725

IUPACN-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)o1
InChIInChI=1S/C18H17ClN4O3S/c1-11-5-6-14(26-11)10-20-15(24)7-8-16-22-23-18(27-16)17(25)21-13-4-2-3-12(19)9-13/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyYAWWWWJZJVOBTL-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.59
Rot. Bonds7

About N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide

N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46354725) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46354725
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)o1
InChIInChI=1S/C18H17ClN4O3S/c1-11-5-6-14(26-11)10-20-15(24)7-8-16-22-23-18(27-16)17(25)21-13-4-2-3-12(19)9-13/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyYAWWWWJZJVOBTL-UHFFFAOYSA-N
XLogP3.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide (CID 46354725) is N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(CNC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)o1.
What is the InChIKey of N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YAWWWWJZJVOBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-11-5-6-14(26-11)10-20-15(24)7-8-16-22-23-18(27-16)17(25)21-13-4-2-3-12(19)9-13/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide?
N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46354725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).