(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C17H19N5OS2 — CID 72868449

IUPAC(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C17H19N5OS2/c1-12-15(25-11-19-12)17(23)22-5-2-3-13(7-22)16-18-4-6-21(16)8-14-9-24-10-20-14/h4,6,9-11,13H,2-3,5,7-8H2,1H3
InChIKeyKNQXWVQUPUSOJI-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.17
Rot. Bonds4

About (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72868449) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72868449
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C17H19N5OS2/c1-12-15(25-11-19-12)17(23)22-5-2-3-13(7-22)16-18-4-6-21(16)8-14-9-24-10-20-14/h4,6,9-11,13H,2-3,5,7-8H2,1H3
InChIKeyKNQXWVQUPUSOJI-UHFFFAOYSA-N
XLogP3.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-Dimethyl-1,3-thiazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53603078
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53609277
1-[3-(methylthio)propanoyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70746515
1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70750163
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanone
CID 70772556
1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72877462
2-isopropyl-4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 72896227
2-methyl-5-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrazine
CID 72899785
(2-Amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72918627
1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72925220
2-isopropyl-4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 50968252

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72868449) is (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KNQXWVQUPUSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-12-15(25-11-19-12)17(23)22-5-2-3-13(7-22)16-18-4-6-21(16)8-14-9-24-10-20-14/h4,6,9-11,13H,2-3,5,7-8H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 373.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72868449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).