N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide

C12H18N2OS — CID 96506053

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H18N2OS/c1-3-8(4-2)11(15)14-12-13-10(7-16-12)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeySQOAEBMISPZHLB-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.40
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide (PubChem CID 96506053) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide
PubChem CID96506053
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H18N2OS/c1-3-8(4-2)11(15)14-12-13-10(7-16-12)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeySQOAEBMISPZHLB-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide (CID 96506053) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
The InChIKey is SQOAEBMISPZHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-8(4-2)11(15)14-12-13-10(7-16-12)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide has a molecular weight of 238.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 96506053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).