N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C16H25N3OS — CID 75425009

IUPACN-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC1(CNCc2csc(N(C(C)=O)C3CC3)n2)CCC1
InChIInChI=1S/C16H25N3OS/c1-3-16(7-4-8-16)11-17-9-13-10-21-15(18-13)19(12(2)20)14-5-6-14/h10,14,17H,3-9,11H2,1-2H3
InChIKeyYJAZFMPENCPAEG-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.33
Rot. Bonds7

About N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75425009) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75425009
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC1(CNCc2csc(N(C(C)=O)C3CC3)n2)CCC1
InChIInChI=1S/C16H25N3OS/c1-3-16(7-4-8-16)11-17-9-13-10-21-15(18-13)19(12(2)20)14-5-6-14/h10,14,17H,3-9,11H2,1-2H3
InChIKeyYJAZFMPENCPAEG-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 75425009) is N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCC1(CNCc2csc(N(C(C)=O)C3CC3)n2)CCC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YJAZFMPENCPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-16(7-4-8-16)11-17-9-13-10-21-15(18-13)19(12(2)20)14-5-6-14/h10,14,17H,3-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[(1-ethylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75425009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).