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

C10H13N3OS — CID 146134673

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(CNCc2ncoc2C)sn1
InChIInChI=1S/C10H13N3OS/c1-7-3-9(15-13-7)4-11-5-10-8(2)14-6-12-10/h3,6,11H,4-5H2,1-2H3
InChIKeyUXHVVKUCJOHWQV-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.04
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine (PubChem CID 146134673) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine
PubChem CID146134673
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(CNCc2ncoc2C)sn1
InChIInChI=1S/C10H13N3OS/c1-7-3-9(15-13-7)4-11-5-10-8(2)14-6-12-10/h3,6,11H,4-5H2,1-2H3
InChIKeyUXHVVKUCJOHWQV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine (CID 146134673) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine is Cc1cc(CNCc2ncoc2C)sn1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine?
The InChIKey is UXHVVKUCJOHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-3-9(15-13-7)4-11-5-10-8(2)14-6-12-10/h3,6,11H,4-5H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine has a molecular weight of 223.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 146134673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).