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

C16H19N3OS2 — CID 25490962

IUPAC(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1csc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)n1
InChIInChI=1S/C16H19N3OS2/c1-10-8-22-16(17-10)11(2)19(4)7-14-12(3)20-15(18-14)13-5-6-21-9-13/h5-6,8-9,11H,7H2,1-4H3/t11-/m0/s1
InChIKeyYRCFMZAXHNAIDY-NSHDSACASA-N
MW333.48 g/mol
LogP4.67
Rot. Bonds5

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

(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 25490962) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID25490962
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCc1csc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)n1
InChIInChI=1S/C16H19N3OS2/c1-10-8-22-16(17-10)11(2)19(4)7-14-12(3)20-15(18-14)13-5-6-21-9-13/h5-6,8-9,11H,7H2,1-4H3/t11-/m0/s1
InChIKeyYRCFMZAXHNAIDY-NSHDSACASA-N
XLogP4.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 25490962) is (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is Cc1csc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)n1.
What is the InChIKey of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is YRCFMZAXHNAIDY-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-10-8-22-16(17-10)11(2)19(4)7-14-12(3)20-15(18-14)13-5-6-21-9-13/h5-6,8-9,11H,7H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 333.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 25490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).