N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide

C18H19N3O2S — CID 31448979

IUPACN-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2cn3ccsc3n2)C2CC2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-16-6-2-13(3-7-16)11-21(15-4-5-15)17(22)10-14-12-20-8-9-24-18(20)19-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3
InChIKeyBKMMRELYHPLQCC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.14
Rot. Bonds6

About N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 31448979) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID31448979
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2cn3ccsc3n2)C2CC2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-16-6-2-13(3-7-16)11-21(15-4-5-15)17(22)10-14-12-20-8-9-24-18(20)19-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3
InChIKeyBKMMRELYHPLQCC-UHFFFAOYSA-N
XLogP3.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 38252253
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271623
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
[2-(4-methoxyphenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3595564
1-(2,4-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791997
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817022
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide (CID 31448979) is N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)Cc2cn3ccsc3n2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BKMMRELYHPLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-16-6-2-13(3-7-16)11-21(15-4-5-15)17(22)10-14-12-20-8-9-24-18(20)19-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3.
What are the key properties of N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31448979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).