(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

C16H14Cl2N4OS — CID 51583912

IUPAC(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1ccnc1
InChIInChI=1S/C16H14Cl2N4OS/c1-10(22-6-5-19-9-22)15(23)21-16-20-8-12(24-16)7-11-3-2-4-13(17)14(11)18/h2-6,8-10H,7H2,1H3,(H,20,21,23)/t10-/m1/s1
InChIKeyFZQZXEIBAFWSFV-SNVBAGLBSA-N
MW381.29 g/mol
LogP4.44
Rot. Bonds5

About (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (PubChem CID 51583912) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
PubChem CID51583912
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC Name(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1ccnc1
InChIInChI=1S/C16H14Cl2N4OS/c1-10(22-6-5-19-9-22)15(23)21-16-20-8-12(24-16)7-11-3-2-4-13(17)14(11)18/h2-6,8-10H,7H2,1H3,(H,20,21,23)/t10-/m1/s1
InChIKeyFZQZXEIBAFWSFV-SNVBAGLBSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 46970393
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
CID 2239758
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827660
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 71894360
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (CID 51583912) is (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1ccnc1.
What is the InChIKey of (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is FZQZXEIBAFWSFV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14Cl2N4OS/c1-10(22-6-5-19-9-22)15(23)21-16-20-8-12(24-16)7-11-3-2-4-13(17)14(11)18/h2-6,8-10H,7H2,1H3,(H,20,21,23)/t10-/m1/s1.
What are the key properties of (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
(2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 381.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 51583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).