N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide

C16H17N5OS — CID 30043833

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(Cn3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)13-6-4-12(5-7-13)10-21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22)
InChIKeyMYGAYFMKULFVHB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.16
Rot. Bonds5

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 30043833) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID30043833
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2ccc(Cn3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)13-6-4-12(5-7-13)10-21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22)
InChIKeyMYGAYFMKULFVHB-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
4-(cyanomethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179647
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24668061
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide (CID 30043833) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide is CC(C)c1nnc(NC(=O)c2ccc(Cn3cccn3)cc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MYGAYFMKULFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)13-6-4-12(5-7-13)10-21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 327.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 30043833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).