3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide

C20H19N5O2S — CID 55608747

IUPAC3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H19N5O2S/c26-19(17-12-28-14-25(17)20(27)16-4-2-1-3-5-16)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h1-10,13,17H,11-12,14H2,(H,23,26)
InChIKeyJJXFWPLOUIIHCV-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.10
Rot. Bonds5

About 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55608747) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55608747
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H19N5O2S/c26-19(17-12-28-14-25(17)20(27)16-4-2-1-3-5-16)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h1-10,13,17H,11-12,14H2,(H,23,26)
InChIKeyJJXFWPLOUIIHCV-UHFFFAOYSA-N
XLogP2.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 55608747) is 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccc(-n2ccnc2)nc1)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JJXFWPLOUIIHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-19(17-12-28-14-25(17)20(27)16-4-2-1-3-5-16)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h1-10,13,17H,11-12,14H2,(H,23,26).
What are the key properties of 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).