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

C14H15N3O2S — CID 39040742

IUPAC4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3,(H,15,17,18)/t11-/m0/s1
InChIKeyCBXLTEJWYPMWNP-NSHDSACASA-N
MW289.36 g/mol
LogP2.95
Rot. Bonds3

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

4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 39040742) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID39040742
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3,(H,15,17,18)/t11-/m0/s1
InChIKeyCBXLTEJWYPMWNP-NSHDSACASA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
(E)-3-(4-methylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182067
4-methyl-3-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 19182046
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
CID 51973075
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 110451761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 39040742) is 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1.
What is the InChIKey of 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CBXLTEJWYPMWNP-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3,(H,15,17,18)/t11-/m0/s1.
What are the key properties of 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide?
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 39040742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).