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

C14H17N3O2S — CID 103871250

IUPAC3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1c(O)cccc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H17N3O2S/c1-8(2)7-12-16-17-14(20-12)15-13(19)10-5-4-6-11(18)9(10)3/h4-6,8,18H,7H2,1-3H3,(H,15,17,19)
InChIKeyBZPWUGGZAMGWOB-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.00
Rot. Bonds4

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

3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 103871250) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID103871250
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1c(O)cccc1C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H17N3O2S/c1-8(2)7-12-16-17-14(20-12)15-13(19)10-5-4-6-11(18)9(10)3/h4-6,8,18H,7H2,1-3H3,(H,15,17,19)
InChIKeyBZPWUGGZAMGWOB-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 56792744
4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106262310
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
2-amino-6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106259550
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 103871250) is 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1c(O)cccc1C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BZPWUGGZAMGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)7-12-16-17-14(20-12)15-13(19)10-5-4-6-11(18)9(10)3/h4-6,8,18H,7H2,1-3H3,(H,15,17,19).
What are the key properties of 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 291.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 103871250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).