3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

C14H22N2O3S — CID 167776323

IUPAC3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C14H22N2O3S/c1-10-5-6-20-13(10)8-16(2)14(18)15-7-11-3-4-12(9-17)19-11/h5-6,11-12,17H,3-4,7-9H2,1-2H3,(H,15,18)/t11-,12+/m1/s1
InChIKeySATUHNFSDAHPKN-NEPJUHHUSA-N
MW298.41 g/mol
LogP1.74
Rot. Bonds5

About 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 167776323) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID167776323
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C14H22N2O3S/c1-10-5-6-20-13(10)8-16(2)14(18)15-7-11-3-4-12(9-17)19-11/h5-6,11-12,17H,3-4,7-9H2,1-2H3,(H,15,18)/t11-,12+/m1/s1
InChIKeySATUHNFSDAHPKN-NEPJUHHUSA-N
XLogP1.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]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

3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 51301850
1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421833
3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 95134232
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (CID 167776323) is 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CN(C)C(=O)NC[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is SATUHNFSDAHPKN-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-5-6-20-13(10)8-16(2)14(18)15-7-11-3-4-12(9-17)19-11/h5-6,11-12,17H,3-4,7-9H2,1-2H3,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 298.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 167776323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).