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

C14H15N3OS2 — CID 56784904

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C14H15N3OS2/c1-10-13(20-9-16-10)7-17(2)8-14-15-6-11(18-14)12-4-3-5-19-12/h3-6,9H,7-8H2,1-2H3
InChIKeyRQBTTWNRLPXAMH-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.80
Rot. Bonds5

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

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 56784904) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID56784904
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C14H15N3OS2/c1-10-13(20-9-16-10)7-17(2)8-14-15-6-11(18-14)12-4-3-5-19-12/h3-6,9H,7-8H2,1-2H3
InChIKeyRQBTTWNRLPXAMH-UHFFFAOYSA-N
XLogP3.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine (CID 56784904) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is Cc1ncsc1CN(C)Cc1ncc(-c2cccs2)o1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is RQBTTWNRLPXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-10-13(20-9-16-10)7-17(2)8-14-15-6-11(18-14)12-4-3-5-19-12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 305.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 56784904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).