N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C21H19N5OS — CID 41119508

IUPACN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H19N5OS/c1-15(16-4-6-19(7-5-16)26-10-9-23-14-26)24-20(27)11-18-13-28-21(25-18)17-3-2-8-22-12-17/h2-10,12-15H,11H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyOJBCHHFVZJZGAR-OAHLLOKOSA-N
MW389.48 g/mol
LogP3.81
Rot. Bonds6

About N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 41119508) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID41119508
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H19N5OS/c1-15(16-4-6-19(7-5-16)26-10-9-23-14-26)24-20(27)11-18-13-28-21(25-18)17-3-2-8-22-12-17/h2-10,12-15H,11H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyOJBCHHFVZJZGAR-OAHLLOKOSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206133
N-[1-(3-chlorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205987
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205416
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 82032648
(2S,3S)-3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 92942450
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 41119508) is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OJBCHHFVZJZGAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-15(16-4-6-19(7-5-16)26-10-9-23-14-26)24-20(27)11-18-13-28-21(25-18)17-3-2-8-22-12-17/h2-10,12-15H,11H2,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 41119508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).