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

C10H19N3OS — CID 61250839

IUPAC2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)CC1CSC(NC(C)C(N)=O)=N1
InChIInChI=1S/C10H19N3OS/c1-6(2)4-8-5-15-10(13-8)12-7(3)9(11)14/h6-8H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyWQMABKWEVCBCTM-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.97
Rot. Bonds4

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

2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 61250839) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID61250839
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)CC1CSC(NC(C)C(N)=O)=N1
InChIInChI=1S/C10H19N3OS/c1-6(2)4-8-5-15-10(13-8)12-7(3)9(11)14/h6-8H,4-5H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyWQMABKWEVCBCTM-UHFFFAOYSA-N
XLogP0.97
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 61250839) is 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CC(C)CC1CSC(NC(C)C(N)=O)=N1.
What is the InChIKey of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is WQMABKWEVCBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-6(2)4-8-5-15-10(13-8)12-7(3)9(11)14/h6-8H,4-5H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 229.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 61250839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).