(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

C18H18N4OS — CID 155980501

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C18H18N4OS/c1-12-16(24-11-20-12)18(23)22-9-6-13(7-10-22)15-5-4-14-3-2-8-19-17(14)21-15/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyNWWGGDAQFXZGSX-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.41
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155980501) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155980501
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C18H18N4OS/c1-12-16(24-11-20-12)18(23)22-9-6-13(7-10-22)15-5-4-14-3-2-8-19-17(14)21-15/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyNWWGGDAQFXZGSX-UHFFFAOYSA-N
XLogP3.41
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (CID 155980501) is (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is NWWGGDAQFXZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-16(24-11-20-12)18(23)22-9-6-13(7-10-22)15-5-4-14-3-2-8-19-17(14)21-15/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 338.44 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155980501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).