5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole

C12H13N3S — CID 135388420

IUPAC5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole
SMILESCc1cnc(-c2ccc3c(n2)CCCN3)s1
InChIInChI=1S/C12H13N3S/c1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyBAQRXPGNXPIGPB-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.87
Rot. Bonds1

About 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole

5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole (PubChem CID 135388420) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole
PubChem CID135388420
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole
SMILESCc1cnc(-c2ccc3c(n2)CCCN3)s1
InChIInChI=1S/C12H13N3S/c1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyBAQRXPGNXPIGPB-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyridazin-4-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 135388024
6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484556
5,6,7,8-tetrahydro-1,5-naphthyridin-2-amine
CID 130119178
6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole
CID 161125947
6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydro-1,5-naphthyridine;propane
CID 142484426
6-(5-methyl-1,3-thiazol-2-yl)pyridin-2-amine
CID 89132785
1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 91313301
2-(5-ethyl-2-pyridinyl)-5-methyl-1,3-thiazole
CID 150641298
5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 110100411
3-[1-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 156875257
5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbohydrazide
CID 135388640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole (CID 135388420) is 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole is Cc1cnc(-c2ccc3c(n2)CCCN3)s1.
What is the InChIKey of 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole?
The InChIKey is BAQRXPGNXPIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-7-14-12(16-8)11-5-4-9-10(15-11)3-2-6-13-9/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole?
5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole has a molecular weight of 231.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-thiazole is sourced from PubChem (CID 135388420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).