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

C16H19N5O2S — CID 134055670

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc(N3CCNC3=O)cc2)s1
InChIInChI=1S/C16H19N5O2S/c1-10(2)9-13-19-20-15(24-13)18-14(22)11-3-5-12(6-4-11)21-8-7-17-16(21)23/h3-6,10H,7-9H2,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyLOIRNOQKAWKSDN-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.52
Rot. Bonds5

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 134055670) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID134055670
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc(N3CCNC3=O)cc2)s1
InChIInChI=1S/C16H19N5O2S/c1-10(2)9-13-19-20-15(24-13)18-14(22)11-3-5-12(6-4-11)21-8-7-17-16(21)23/h3-6,10H,7-9H2,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyLOIRNOQKAWKSDN-UHFFFAOYSA-N
XLogP2.52
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938281
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797970
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24529128
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
4-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 6207312
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276435
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide (CID 134055670) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide is CC(C)Cc1nnc(NC(=O)c2ccc(N3CCNC3=O)cc2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is LOIRNOQKAWKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10(2)9-13-19-20-15(24-13)18-14(22)11-3-5-12(6-4-11)21-8-7-17-16(21)23/h3-6,10H,7-9H2,1-2H3,(H,17,23)(H,18,20,22).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 345.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 134055670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).