4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C15H12ClN5O2S2 — CID 41213345

IUPAC4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nnc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN5O2S2/c1-8-20-21-15(25-8)18-12(22)6-11-7-24-14(17-11)19-13(23)9-2-4-10(16)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,23)(H,18,21,22)
InChIKeyQIYYVFLKJYOSEX-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41213345) has the molecular formula C15H12ClN5O2S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41213345
Molecular FormulaC15H12ClN5O2S2
Molecular Weight393.88 g/mol
Exact Mass393.01
IUPAC Name4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nnc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN5O2S2/c1-8-20-21-15(25-8)18-12(22)6-11-7-24-14(17-11)19-13(23)9-2-4-10(16)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,23)(H,18,21,22)
InChIKeyQIYYVFLKJYOSEX-UHFFFAOYSA-N
XLogP3.39
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
N-[4-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704551
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 41213345) is 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is Cc1nnc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QIYYVFLKJYOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S2/c1-8-20-21-15(25-8)18-12(22)6-11-7-24-14(17-11)19-13(23)9-2-4-10(16)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,23)(H,18,21,22).
What are the key properties of 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 393.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41213345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).