N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

C10H16N2OS — CID 22170554

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-9(13)12-10-11-6-8(14-10)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKNVQVQRRCKIOMS-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.01
Rot. Bonds4

About N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 22170554) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID22170554
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-9(13)12-10-11-6-8(14-10)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKNVQVQRRCKIOMS-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 22170554) is N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KNVQVQRRCKIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-9(13)12-10-11-6-8(14-10)7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 22170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).