2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H13ClN4O2S2 — CID 53370769

IUPAC2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1
InChIInChI=1S/C15H13ClN4O2S2/c1-8-12(13(21)18-15-20-19-11(23-15)7-22-2)24-14(17-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,18,20,21)
InChIKeyZTZXSSZLTWOLOK-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.02
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53370769) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53370769
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC Name2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1
InChIInChI=1S/C15H13ClN4O2S2/c1-8-12(13(21)18-15-20-19-11(23-15)7-22-2)24-14(17-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,18,20,21)
InChIKeyZTZXSSZLTWOLOK-UHFFFAOYSA-N
XLogP4.02
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 15472881
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26692755
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
2-(cyanomethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82179674
2,6-dichloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1303432
2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71881361
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84561012
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53370769) is 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is COCc1nnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZTZXSSZLTWOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c1-8-12(13(21)18-15-20-19-11(23-15)7-22-2)24-14(17-8)9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53370769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).