N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide

C14H17N3O2S — CID 47316827

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(O)c1
InChIInChI=1S/C14H17N3O2S/c1-8-5-6-9(10(18)7-8)11(19)15-13-17-16-12(20-13)14(2,3)4/h5-7,18H,1-4H3,(H,15,17,19)
InChIKeyDTBPQARDHZRLSH-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.10
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 47316827) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
PubChem CID47316827
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(O)c1
InChIInChI=1S/C14H17N3O2S/c1-8-5-6-9(10(18)7-8)11(19)15-13-17-16-12(20-13)14(2,3)4/h5-7,18H,1-4H3,(H,15,17,19)
InChIKeyDTBPQARDHZRLSH-UHFFFAOYSA-N
XLogP3.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
CID 146126277
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 6941940
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide (CID 47316827) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(O)c1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is DTBPQARDHZRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-5-6-9(10(18)7-8)11(19)15-13-17-16-12(20-13)14(2,3)4/h5-7,18H,1-4H3,(H,15,17,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 291.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 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)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 47316827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).