2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide

C13H23N3OS — CID 51086683

IUPAC2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCCCc1nc(CN(CC)CC(=O)N(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-5-7-12-14-11(10-18-12)8-16(6-2)9-13(17)15(3)4/h10H,5-9H2,1-4H3
InChIKeyWUGWCXZMEXTZAD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.01
Rot. Bonds7

About 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide

2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 51086683) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide
PubChem CID51086683
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide
SMILESCCCc1nc(CN(CC)CC(=O)N(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-5-7-12-14-11(10-18-12)8-16(6-2)9-13(17)15(3)4/h10H,5-9H2,1-4H3
InChIKeyWUGWCXZMEXTZAD-UHFFFAOYSA-N
XLogP2.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide (CID 51086683) is 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide is CCCc1nc(CN(CC)CC(=O)N(C)C)cs1.
What is the InChIKey of 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is WUGWCXZMEXTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-7-12-14-11(10-18-12)8-16(6-2)9-13(17)15(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 269.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 51086683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).