N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine

C16H21N3S — CID 66181500

IUPACN-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine
SMILESCCN(Cc1csc(-c2ccc(C)cc2)n1)C1CNC1
InChIInChI=1S/C16H21N3S/c1-3-19(15-8-17-9-15)10-14-11-20-16(18-14)13-6-4-12(2)5-7-13/h4-7,11,15,17H,3,8-10H2,1-2H3
InChIKeyXYTDRBYMEMTLHR-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine

N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine (PubChem CID 66181500) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine
PubChem CID66181500
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine
SMILESCCN(Cc1csc(-c2ccc(C)cc2)n1)C1CNC1
InChIInChI=1S/C16H21N3S/c1-3-19(15-8-17-9-15)10-14-11-20-16(18-14)13-6-4-12(2)5-7-13/h4-7,11,15,17H,3,8-10H2,1-2H3
InChIKeyXYTDRBYMEMTLHR-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
CID 66181515
N-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332601
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
N-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-ethylcyclopropanamine
CID 43264408
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 43442512
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66183896
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 66182806
N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 63299224

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine?
The IUPAC name of N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine (CID 66181500) is N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine?
The canonical SMILES for N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine is CCN(Cc1csc(-c2ccc(C)cc2)n1)C1CNC1.
What is the InChIKey of N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine?
The InChIKey is XYTDRBYMEMTLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-19(15-8-17-9-15)10-14-11-20-16(18-14)13-6-4-12(2)5-7-13/h4-7,11,15,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine?
N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine is sourced from PubChem (CID 66181500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).