4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine

C16H18F2N2O2S — CID 2469781

IUPAC4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-10-14(11-4-6-12(7-5-11)22-15(17)18)20-16(23-10)19-9-13-3-2-8-21-13/h4-7,13,15H,2-3,8-9H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyQHVNCBUNFJEGKX-ZDUSSCGKSA-N
MW340.39 g/mol
LogP4.31
Rot. Bonds6

About 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine

4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 2469781) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
PubChem CID2469781
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.39 g/mol
Exact Mass340.11
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-10-14(11-4-6-12(7-5-11)22-15(17)18)20-16(23-10)19-9-13-3-2-8-21-13/h4-7,13,15H,2-3,8-9H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyQHVNCBUNFJEGKX-ZDUSSCGKSA-N
XLogP4.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine 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

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633440
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79146165
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 71879523

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (CID 2469781) is 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QHVNCBUNFJEGKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-10-14(11-4-6-12(7-5-11)22-15(17)18)20-16(23-10)19-9-13-3-2-8-21-13/h4-7,13,15H,2-3,8-9H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 340.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2469781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).