N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide

C16H29N3OS — CID 43229273

IUPACN-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCC(CC)CNCc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C16H29N3OS/c1-5-8-9-14(6-2)10-17-11-15-12-21-16(18-15)19(7-3)13(4)20/h12,14,17H,5-11H2,1-4H3
InChIKeyHKWMYXVSVFHQFZ-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.82
Rot. Bonds10

About N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43229273) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43229273
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCC(CC)CNCc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C16H29N3OS/c1-5-8-9-14(6-2)10-17-11-15-12-21-16(18-15)19(7-3)13(4)20/h12,14,17H,5-11H2,1-4H3
InChIKeyHKWMYXVSVFHQFZ-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 43229273) is N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide is CCCCC(CC)CNCc1csc(N(CC)C(C)=O)n1.
What is the InChIKey of N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HKWMYXVSVFHQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-8-9-14(6-2)10-17-11-15-12-21-16(18-15)19(7-3)13(4)20/h12,14,17H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 311.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(2-ethylhexylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43229273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).