4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C16H21N5OS — CID 51093587

IUPAC4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3nncs3)cc2)CC1
InChIInChI=1S/C16H21N5OS/c1-12(2)20-7-9-21(10-8-20)14-5-3-13(4-6-14)15(22)18-16-19-17-11-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyHXLIBTWRKJLTBN-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.32
Rot. Bonds4

About 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 51093587) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID51093587
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3nncs3)cc2)CC1
InChIInChI=1S/C16H21N5OS/c1-12(2)20-7-9-21(10-8-20)14-5-3-13(4-6-14)15(22)18-16-19-17-11-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyHXLIBTWRKJLTBN-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75490448
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394943
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
N-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 51093587) is 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CC(C)N1CCN(c2ccc(C(=O)Nc3nncs3)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HXLIBTWRKJLTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-12(2)20-7-9-21(10-8-20)14-5-3-13(4-6-14)15(22)18-16-19-17-11-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,22).
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 331.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 51093587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).