3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one

C10H16N2OS — CID 82508536

IUPAC3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(C)(CN)C1CC1
InChIInChI=1S/C10H16N2OS/c1-7-5-14-9(13)12(7)10(2,6-11)8-3-4-8/h5,8H,3-4,6,11H2,1-2H3
InChIKeyBNTKCDLEQLHPJY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.30
Rot. Bonds3

About 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one

3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one (PubChem CID 82508536) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
PubChem CID82508536
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(C)(CN)C1CC1
InChIInChI=1S/C10H16N2OS/c1-7-5-14-9(13)12(7)10(2,6-11)8-3-4-8/h5,8H,3-4,6,11H2,1-2H3
InChIKeyBNTKCDLEQLHPJY-UHFFFAOYSA-N
XLogP1.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one 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

3-(1-Amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82506171
3-[1-(Aminomethyl)cyclopentyl]-4-methyl-1,3-thiazol-2-one
CID 82508529
4-[(2-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380059
4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380228
4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380659
4-[[(5-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381739
4-[[(4-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381754
4-[[(2-amino-2-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381812
4-[[(5-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381843
4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381918
4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383604
4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383615

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one (CID 82508536) is 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1C(C)(CN)C1CC1.
What is the InChIKey of 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is BNTKCDLEQLHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-14-9(13)12(7)10(2,6-11)8-3-4-8/h5,8H,3-4,6,11H2,1-2H3.
What are the key properties of 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 82508536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).