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

C16H18N6OS2 — CID 72877462

IUPAC(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C16H18N6OS2/c1-11-14(25-20-19-11)16(23)22-5-2-3-12(7-22)15-17-4-6-21(15)8-13-9-24-10-18-13/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyJQGITVBJIDKLRA-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.57
Rot. Bonds4

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

(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72877462) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72877462
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC Name(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C16H18N6OS2/c1-11-14(25-20-19-11)16(23)22-5-2-3-12(7-22)15-17-4-6-21(15)8-13-9-24-10-18-13/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyJQGITVBJIDKLRA-UHFFFAOYSA-N
XLogP2.57
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97282641
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863675
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281812
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
(2-ethylpyrazol-3-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283841
(2-ethylpyrazol-3-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72924941
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97275232

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72877462) is (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JQGITVBJIDKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-11-14(25-20-19-11)16(23)22-5-2-3-12(7-22)15-17-4-6-21(15)8-13-9-24-10-18-13/h4,6,9-10,12H,2-3,5,7-8H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 374.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72877462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).