2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C16H16ClN5O3S — CID 46969430

IUPAC2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nnc(NC(=O)C(C)n3cc(Cl)cn3)s2)cc1OC
InChIInChI=1S/C16H16ClN5O3S/c1-9(22-8-11(17)7-18-22)14(23)19-16-21-20-15(26-16)10-4-5-12(24-2)13(6-10)25-3/h4-9H,1-3H3,(H,19,21,23)
InChIKeyVNSXNDACFYOYQX-UHFFFAOYSA-N
MW393.86 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 46969430) has the molecular formula C16H16ClN5O3S and a molecular weight of 393.86 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID46969430
Molecular FormulaC16H16ClN5O3S
Molecular Weight393.86 g/mol
Exact Mass393.07
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nnc(NC(=O)C(C)n3cc(Cl)cn3)s2)cc1OC
InChIInChI=1S/C16H16ClN5O3S/c1-9(22-8-11(17)7-18-22)14(23)19-16-21-20-15(26-16)10-4-5-12(24-2)13(6-10)25-3/h4-9H,1-3H3,(H,19,21,23)
InChIKeyVNSXNDACFYOYQX-UHFFFAOYSA-N
XLogP3.27
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]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-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 743395
methyl 2-[2-(4-chloropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate
CID 19538491
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125051895
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1443659
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 2047594
1-(3,4-difluorophenyl)-3-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 166962849
1-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 1075739
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-methoxybenzamide
CID 42757881
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125052525
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648
4-chloro-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4077557

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 46969430) is 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc(-c2nnc(NC(=O)C(C)n3cc(Cl)cn3)s2)cc1OC.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is VNSXNDACFYOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S/c1-9(22-8-11(17)7-18-22)14(23)19-16-21-20-15(26-16)10-4-5-12(24-2)13(6-10)25-3/h4-9H,1-3H3,(H,19,21,23).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 393.86 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 46969430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).