(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

C13H16N4OS2 — CID 56818988

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C13H16N4OS2/c1-10-12(20-9-14-10)13(18)17-4-2-16(3-5-17)6-11-7-19-8-15-11/h7-9H,2-6H2,1H3
InChIKeyADBVIOGBWBPGFS-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.87
Rot. Bonds3

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

(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56818988) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID56818988
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C13H16N4OS2/c1-10-12(20-9-14-10)13(18)17-4-2-16(3-5-17)6-11-7-19-8-15-11/h7-9H,2-6H2,1H3
InChIKeyADBVIOGBWBPGFS-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 56818988) is (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is Cc1ncsc1C(=O)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ADBVIOGBWBPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-10-12(20-9-14-10)13(18)17-4-2-16(3-5-17)6-11-7-19-8-15-11/h7-9H,2-6H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56818988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).