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

C16H21ClN2OS — CID 61484700

IUPACN-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCCc1nc(COc2ccc(Cl)cc2CNC(C)C)cs1
InChIInChI=1S/C16H21ClN2OS/c1-4-16-19-14(10-21-16)9-20-15-6-5-13(17)7-12(15)8-18-11(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyRWGNPJAMEZPCHA-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.44
Rot. Bonds7

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

N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 61484700) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID61484700
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCCc1nc(COc2ccc(Cl)cc2CNC(C)C)cs1
InChIInChI=1S/C16H21ClN2OS/c1-4-16-19-14(10-21-16)9-20-15-6-5-13(17)7-12(15)8-18-11(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3
InChIKeyRWGNPJAMEZPCHA-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63326875
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methyl]propan-2-amine
CID 63501318
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
N-[[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883305
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
N-[[4-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63216732
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 61484700) is N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is CCc1nc(COc2ccc(Cl)cc2CNC(C)C)cs1.
What is the InChIKey of N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is RWGNPJAMEZPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-4-16-19-14(10-21-16)9-20-15-6-5-13(17)7-12(15)8-18-11(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 324.88 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61484700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).