N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C16H21ClN2OS — CID 62485876

IUPACN-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Cl)c(OCc2csc(CNCC(C)C)n2)c1
InChIInChI=1S/C16H21ClN2OS/c1-11(2)7-18-8-16-19-13(10-21-16)9-20-15-6-12(3)4-5-14(15)17/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyAEGMCNAJNGQTCG-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.43
Rot. Bonds7

About N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62485876) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62485876
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Cl)c(OCc2csc(CNCC(C)C)n2)c1
InChIInChI=1S/C16H21ClN2OS/c1-11(2)7-18-8-16-19-13(10-21-16)9-20-15-6-12(3)4-5-14(15)17/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyAEGMCNAJNGQTCG-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
4-(chloromethyl)-2-[4-(2-chloro-5-methylphenoxy)butyl]-1,3-thiazole
CID 63548837
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 62485876) is N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(Cl)c(OCc2csc(CNCC(C)C)n2)c1.
What is the InChIKey of N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AEGMCNAJNGQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-11(2)7-18-8-16-19-13(10-21-16)9-20-15-6-12(3)4-5-14(15)17/h4-6,10-11,18H,7-9H2,1-3H3.
What are the key properties of N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 324.88 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62485876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).