2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide

C18H25N3OS — CID 119779776

IUPAC2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
SMILESCNCC(C)C(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C18H25N3OS/c1-11-6-8-15(9-7-11)18-21-14(4)16(23-18)13(3)20-17(22)12(2)10-19-5/h6-9,12-13,19H,10H2,1-5H3,(H,20,22)
InChIKeyCYJZSCRIUZJRME-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.46
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide

2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide (PubChem CID 119779776) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
PubChem CID119779776
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
SMILESCNCC(C)C(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C
InChIInChI=1S/C18H25N3OS/c1-11-6-8-15(9-7-11)18-21-14(4)16(23-18)13(3)20-17(22)12(2)10-19-5/h6-9,12-13,19H,10H2,1-5H3,(H,20,22)
InChIKeyCYJZSCRIUZJRME-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide (CID 119779776) is 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide is CNCC(C)C(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?
The InChIKey is CYJZSCRIUZJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-11-6-8-15(9-7-11)18-21-14(4)16(23-18)13(3)20-17(22)12(2)10-19-5/h6-9,12-13,19H,10H2,1-5H3,(H,20,22).
What are the key properties of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?
2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide has a molecular weight of 331.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 119779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).