N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C18H27N3O2S — CID 75422605

IUPACN-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCOC1CC(NCc2csc(N(C(C)=O)C3CC3)n2)C12CCC2
InChIInChI=1S/C18H27N3O2S/c1-3-23-16-9-15(18(16)7-4-8-18)19-10-13-11-24-17(20-13)21(12(2)22)14-5-6-14/h11,14-16,19H,3-10H2,1-2H3
InChIKeyCQIYIOXJGPGESI-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.10
Rot. Bonds7

About N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75422605) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75422605
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCOC1CC(NCc2csc(N(C(C)=O)C3CC3)n2)C12CCC2
InChIInChI=1S/C18H27N3O2S/c1-3-23-16-9-15(18(16)7-4-8-18)19-10-13-11-24-17(20-13)21(12(2)22)14-5-6-14/h11,14-16,19H,3-10H2,1-2H3
InChIKeyCQIYIOXJGPGESI-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 75422605) is N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCOC1CC(NCc2csc(N(C(C)=O)C3CC3)n2)C12CCC2.
What is the InChIKey of N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQIYIOXJGPGESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-3-23-16-9-15(18(16)7-4-8-18)19-10-13-11-24-17(20-13)21(12(2)22)14-5-6-14/h11,14-16,19H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75422605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).