N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine

C11H15N3OS — CID 126510158

IUPACN-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1cc(CCCN(C)c2nccs2)no1
InChIInChI=1S/C11H15N3OS/c1-9-8-10(13-15-9)4-3-6-14(2)11-12-5-7-16-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyOJUMPPHOGFLPEI-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.51
Rot. Bonds5

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

N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 126510158) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine
PubChem CID126510158
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1cc(CCCN(C)c2nccs2)no1
InChIInChI=1S/C11H15N3OS/c1-9-8-10(13-15-9)4-3-6-14(2)11-12-5-7-16-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyOJUMPPHOGFLPEI-UHFFFAOYSA-N
XLogP2.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine (CID 126510158) is N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine is Cc1cc(CCCN(C)c2nccs2)no1.
What is the InChIKey of N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is OJUMPPHOGFLPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-9-8-10(13-15-9)4-3-6-14(2)11-12-5-7-16-11/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine?
N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(5-methyl-1,2-oxazol-3-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126510158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).