N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide

C11H18N2OS — CID 22170594

IUPACN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-4-5-10(14)13-11-12-7-9(15-11)6-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUBMATNVCERADKX-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.08
Rot. Bonds5

About N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide

N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 22170594) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide
PubChem CID22170594
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-4-5-10(14)13-11-12-7-9(15-11)6-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUBMATNVCERADKX-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide (CID 22170594) is N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1ncc(CC(C)C)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is UBMATNVCERADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-5-10(14)13-11-12-7-9(15-11)6-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide?
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 22170594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).