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

C15H16N4OS — CID 104931651

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-2-12-8-18-14(20-12)9-16-7-11-10-21-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyDHQRXXFHWVBDTJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.05
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 104931651) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
PubChem CID104931651
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-2-12-8-18-14(20-12)9-16-7-11-10-21-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyDHQRXXFHWVBDTJ-UHFFFAOYSA-N
XLogP3.05
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine (CID 104931651) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine is CCc1cnc(CNCc2csc(-c3ccccn3)n2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is DHQRXXFHWVBDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-12-8-18-14(20-12)9-16-7-11-10-21-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 300.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 104931651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).