(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C16H20N4O2S — CID 70753762

IUPAC(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1
InChIInChI=1S/C16H20N4O2S/c1-11-5-4-6-17-14(11)19-7-9-20(10-8-19)15(21)13-12(2)18-16(22-3)23-13/h4-6H,7-10H2,1-3H3
InChIKeyUQVDGLSKAHWFHM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.13
Rot. Bonds3

About (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 70753762) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID70753762
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1
InChIInChI=1S/C16H20N4O2S/c1-11-5-4-6-17-14(11)19-7-9-20(10-8-19)15(21)13-12(2)18-16(22-3)23-13/h4-6H,7-10H2,1-3H3
InChIKeyUQVDGLSKAHWFHM-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 70753762) is (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is COc1nc(C)c(C(=O)N2CCN(c3ncccc3C)CC2)s1.
What is the InChIKey of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is UQVDGLSKAHWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-5-4-6-17-14(11)19-7-9-20(10-8-19)15(21)13-12(2)18-16(22-3)23-13/h4-6H,7-10H2,1-3H3.
What are the key properties of (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70753762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).