N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C10H13N3OS — CID 146137266

IUPACN-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1conc1CNC(C)c1cncs1
InChIInChI=1S/C10H13N3OS/c1-7-5-14-13-9(7)3-12-8(2)10-4-11-6-15-10/h4-6,8,12H,3H2,1-2H3
InChIKeyYOEAMRNPDNUPHX-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.29
Rot. Bonds4

About N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 146137266) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID146137266
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1conc1CNC(C)c1cncs1
InChIInChI=1S/C10H13N3OS/c1-7-5-14-13-9(7)3-12-8(2)10-4-11-6-15-10/h4-6,8,12H,3H2,1-2H3
InChIKeyYOEAMRNPDNUPHX-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
N-[(3-ethylthiophen-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115727630
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115716558
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 146137266) is N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is Cc1conc1CNC(C)c1cncs1.
What is the InChIKey of N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is YOEAMRNPDNUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-5-14-13-9(7)3-12-8(2)10-4-11-6-15-10/h4-6,8,12H,3H2,1-2H3.
What are the key properties of N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 223.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 146137266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).