N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide

C14H16ClN3O2S — CID 2914804

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H16ClN3O2S/c1-14(2,3)12-17-18-13(21-12)16-11(19)9-7-8(15)5-6-10(9)20-4/h5-7H,1-4H3,(H,16,18,19)
InChIKeyIKAUBGIJYDBMKO-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.75
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide (PubChem CID 2914804) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
PubChem CID2914804
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H16ClN3O2S/c1-14(2,3)12-17-18-13(21-12)16-11(19)9-7-8(15)5-6-10(9)20-4/h5-7H,1-4H3,(H,16,18,19)
InChIKeyIKAUBGIJYDBMKO-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide (CID 2914804) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is IKAUBGIJYDBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-14(2,3)12-17-18-13(21-12)16-11(19)9-7-8(15)5-6-10(9)20-4/h5-7H,1-4H3,(H,16,18,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 325.82 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 2914804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).