1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

C8H14N4OS — CID 82508901

IUPAC1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)(CN)NC(=O)Nc1nccs1
InChIInChI=1S/C8H14N4OS/c1-8(2,5-9)12-6(13)11-7-10-3-4-14-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyKTAXJNAMHCLRCS-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.00
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 82508901) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID82508901
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)(CN)NC(=O)Nc1nccs1
InChIInChI=1S/C8H14N4OS/c1-8(2,5-9)12-6(13)11-7-10-3-4-14-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyKTAXJNAMHCLRCS-UHFFFAOYSA-N
XLogP1.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea 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-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 62489746
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
CID 13163904
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
1-(1,3-thiazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 117060575
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
5,5-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)hexanoic acid
CID 113496869
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (CID 82508901) is 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is CC(C)(CN)NC(=O)Nc1nccs1.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is KTAXJNAMHCLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(2,5-9)12-6(13)11-7-10-3-4-14-7/h3-4H,5,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 214.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 82508901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).