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

C17H14ClN3O2S — CID 1429740

IUPAC2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(OCc2nnc(NC(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C17H14ClN3O2S/c1-11-5-4-6-12(9-11)23-10-15-20-21-17(24-15)19-16(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyOMGPHSJGWGJOIV-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.33
Rot. Bonds5

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

2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1429740) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1429740
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(OCc2nnc(NC(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C17H14ClN3O2S/c1-11-5-4-6-12(9-11)23-10-15-20-21-17(24-15)19-16(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyOMGPHSJGWGJOIV-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
2-chloro-N-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 15472881
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 858231
methyl N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 2201221
4-methoxy-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 10570178
3-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3152064
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 4639228
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224954
2-chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 792656
2-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1095334
2-chloro-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100513021
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 1429740) is 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(OCc2nnc(NC(=O)c3ccccc3Cl)s2)c1.
What is the InChIKey of 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OMGPHSJGWGJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-5-4-6-12(9-11)23-10-15-20-21-17(24-15)19-16(22)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 359.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1429740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).