N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C16H18ClN3S — CID 78968443

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H18ClN3S/c1-9(16-10(2)20-11(3)21-16)18-7-12-8-19-15-6-13(17)4-5-14(12)15/h4-6,8-9,18-19H,7H2,1-3H3
InChIKeyABJQMCCEJNURQJ-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.75
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 78968443) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID78968443
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H18ClN3S/c1-9(16-10(2)20-11(3)21-16)18-7-12-8-19-15-6-13(17)4-5-14(12)15/h4-6,8-9,18-19H,7H2,1-3H3
InChIKeyABJQMCCEJNURQJ-UHFFFAOYSA-N
XLogP4.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine with MolForge

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 78968532
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 78968459
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol
CID 61192165
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63851225
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
3-chloro-4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]benzonitrile
CID 102664197
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78968616
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 78968443) is N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCc2c[nH]c3cc(Cl)ccc23)s1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ABJQMCCEJNURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-9(16-10(2)20-11(3)21-16)18-7-12-8-19-15-6-13(17)4-5-14(12)15/h4-6,8-9,18-19H,7H2,1-3H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 319.86 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 78968443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).