N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

C15H18Cl2N2OS — CID 60888100

IUPACN-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nc(COc2c(Cl)cc(Cl)cc2CNC(C)C)cs1
InChIInChI=1S/C15H18Cl2N2OS/c1-9(2)18-6-11-4-12(16)5-14(17)15(11)20-7-13-8-21-10(3)19-13/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyFUAPTMDZNFDMHT-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.84
Rot. Bonds6

About N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 60888100) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID60888100
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC NameN-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nc(COc2c(Cl)cc(Cl)cc2CNC(C)C)cs1
InChIInChI=1S/C15H18Cl2N2OS/c1-9(2)18-6-11-4-12(16)5-14(17)15(11)20-7-13-8-21-10(3)19-13/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyFUAPTMDZNFDMHT-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487233
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]methyl]propan-2-amine
CID 63499377
N-[[3,5-dichloro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115978897
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875
(2,4,6-trichlorophenyl) 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55335110
N-[[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883305
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 60888100) is N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1nc(COc2c(Cl)cc(Cl)cc2CNC(C)C)cs1.
What is the InChIKey of N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is FUAPTMDZNFDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2OS/c1-9(2)18-6-11-4-12(16)5-14(17)15(11)20-7-13-8-21-10(3)19-13/h4-5,8-9,18H,6-7H2,1-3H3.
What are the key properties of N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 345.30 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60888100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).