N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide

C9H15N3OS — CID 702044

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-5-6(13)10-8-12-11-7(14-8)9(2,3)4/h5H2,1-4H3,(H,10,12,13)
InChIKeyFBAWRGHPYXEGQV-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.18
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 702044) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID702044
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-5-6(13)10-8-12-11-7(14-8)9(2,3)4/h5H2,1-4H3,(H,10,12,13)
InChIKeyFBAWRGHPYXEGQV-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide (CID 702044) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is FBAWRGHPYXEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5-6(13)10-8-12-11-7(14-8)9(2,3)4/h5H2,1-4H3,(H,10,12,13).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 702044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).