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

C10H16N2OS — CID 67953905

IUPACN-(3-tert-butyl-1,2-thiazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-5-8(13)11-9-6-7(12-14-9)10(2,3)4/h6H,5H2,1-4H3,(H,11,13)
InChIKeyDPLYLDIOLQVCMJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.79
Rot. Bonds2

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

N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide (PubChem CID 67953905) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-thiazol-5-yl)propanamide
PubChem CID67953905
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(3-tert-butyl-1,2-thiazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-5-8(13)11-9-6-7(12-14-9)10(2,3)4/h6H,5H2,1-4H3,(H,11,13)
InChIKeyDPLYLDIOLQVCMJ-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide (CID 67953905) is N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide is CCC(=O)Nc1cc(C(C)(C)C)ns1.
What is the InChIKey of N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide?
The InChIKey is DPLYLDIOLQVCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-5-8(13)11-9-6-7(12-14-9)10(2,3)4/h6H,5H2,1-4H3,(H,11,13).
What are the key properties of N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide?
N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide has a molecular weight of 212.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-thiazol-5-yl)propanamide is sourced from PubChem (CID 67953905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).