1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea

C9H16N4OS — CID 110747799

IUPAC1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1csc(N)n1
InChIInChI=1S/C9H16N4OS/c1-6(2)12-9(14)11-4-3-7-5-15-8(10)13-7/h5-6H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,14)
InChIKeyFHGLOFRTEJSFTP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds4

About 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110747799) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
PubChem CID110747799
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1csc(N)n1
InChIInChI=1S/C9H16N4OS/c1-6(2)12-9(14)11-4-3-7-5-15-8(10)13-7/h5-6H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,14)
InChIKeyFHGLOFRTEJSFTP-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
(2S)-3,3-dimethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 103994731
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea (CID 110747799) is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1csc(N)n1.
What is the InChIKey of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is FHGLOFRTEJSFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(2)12-9(14)11-4-3-7-5-15-8(10)13-7/h5-6H,3-4H2,1-2H3,(H2,10,13)(H2,11,12,14).
What are the key properties of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 228.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110747799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).