[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C14H19N5OS2 — CID 71800868

IUPAC[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C14H19N5OS2/c1-10-12(22-17-16-10)13(20)19-6-3-11(4-7-19)9-21-14-15-5-8-18(14)2/h5,8,11H,3-4,6-7,9H2,1-2H3
InChIKeyDDUQVYNAMDWRFW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.22
Rot. Bonds4

About [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71800868) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71800868
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CSc2nccn2C)CC1
InChIInChI=1S/C14H19N5OS2/c1-10-12(22-17-16-10)13(20)19-6-3-11(4-7-19)9-21-14-15-5-8-18(14)2/h5,8,11H,3-4,6-7,9H2,1-2H3
InChIKeyDDUQVYNAMDWRFW-UHFFFAOYSA-N
XLogP2.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71800868) is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CSc2nccn2C)CC1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is DDUQVYNAMDWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-10-12(22-17-16-10)13(20)19-6-3-11(4-7-19)9-21-14-15-5-8-18(14)2/h5,8,11H,3-4,6-7,9H2,1-2H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 337.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71800868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).