2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide

C13H23N3OS — CID 56785620

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCCc1ncc(CN(C)C(C)C(=O)NC(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-6-12-14-7-11(18-12)8-16(5)10(4)13(17)15-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,17)
InChIKeyVFGPVTOHOBHCMF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.05
Rot. Bonds6

About 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide

2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 56785620) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID56785620
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCCc1ncc(CN(C)C(C)C(=O)NC(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-6-12-14-7-11(18-12)8-16(5)10(4)13(17)15-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,17)
InChIKeyVFGPVTOHOBHCMF-UHFFFAOYSA-N
XLogP2.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide (CID 56785620) is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide is CCc1ncc(CN(C)C(C)C(=O)NC(C)C)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is VFGPVTOHOBHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-12-14-7-11(18-12)8-16(5)10(4)13(17)15-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,17).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 269.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 56785620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).