N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide

C14H13ClN4OS3 — CID 3495486

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20)
InChIKeySSHQYHOKVZEZFA-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.02
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 3495486) has the molecular formula C14H13ClN4OS3 and a molecular weight of 384.94 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID3495486
Molecular FormulaC14H13ClN4OS3
Molecular Weight384.94 g/mol
Exact Mass383.99
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H13ClN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20)
InChIKeySSHQYHOKVZEZFA-UHFFFAOYSA-N
XLogP4.02
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide 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-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 4170820
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
CID 118716290
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 3301538
2-((4,5-dihydrothiazol-2-yl)thio)-N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)propanamide
CID 5064440
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 5243160
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,5,5-trimethylhexanamide
CID 134156075
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
CID 56970371
2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8414041
N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451436
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1451488
(2Z)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 6286295
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 57403076

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide (CID 3495486) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide is CC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is SSHQYHOKVZEZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 384.94 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 3495486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).