N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

C12H23N3OS — CID 54959151

IUPACN-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H23N3OS/c1-5-13-11(16)9(4)14-12-15-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyQMORTTOYHRYIBI-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 54959151) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID54959151
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H23N3OS/c1-5-13-11(16)9(4)14-12-15-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyQMORTTOYHRYIBI-UHFFFAOYSA-N
XLogP1.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 54959151) is N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CCNC(=O)C(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is QMORTTOYHRYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-13-11(16)9(4)14-12-15-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 257.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 54959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).